
 OPTIM version 34709, 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
 getparams> Number of optimisation degrees of freedom    114
 nnutils> NEB images will be equispaced every    350 steps
 nnutils> NEB images will be equispaced at the start of the first cycle
 fetchz> Hybrid EF/BFGS transition state search, maximum steps=   200
         maximum tangent space steps=   3 or   25 when overlap is better than     0.999900
 fetchz> Uphill mode is    0 for initial step and    0 after that
 fetchz> Steps for largest Hessian e/vector= 100, smallest e/vector=  50 convergence at       0.0001%

 NEWNEBT= T
 fetchz> Coordinates of second point read from file finish
 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> Lowest   1 eigenvalues and eigenvectors will be calculated non-iteratively
 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=    50
 fetchz> Pathways will be calculated saving     50 frames on each side
 fetchz> Pathway information will be printed to path.info
 fetchz> Extra (d)neb steps allowed if the (d)neb energy is > lowest value times       0.0000
 fetchz> RMS convergence reset to     0.1000000000E-07 for LBFGS and EF phases for consistency
 fetchz> Convergence criterion for LBFGS optimization: RMS force< 0.10000000E-07 maximum steps=    5000
 fetchz> Maximum energy rise in LBFGS minimization=    0.1000000000E-09
 fetchz> Number of updates in LBFGS=        4
 fetchz> Number of updates in XLBFGS=  10
 fetchz> Number of updates in mind=   4
 fetchz> Number of updates in neb=   4
 fetchz> Initial guess for diagonal elements in LBFGS=     0.1000
 fetchz> Initial guess for diagonal elements in XLBFGS=    0.1000
 fetchz> Maximum step size in LBFGS energy minimization=     0.1000
 fetchz> Maximum step size in XLBFGS=    0.0500
 fetchz> Maximum step size in LBFGS neb image minimization=                 0.2000
 fetchz> Convergence criteria: EF step< 0.10000000E-02 RMS force< 0.10000000E-07
 fetchz> Warnings will be issued if atoms become closer than 0.5 units
 fetchz> Initial maximum for EF/SD steps=     0.05000000
 fetchz> Maximum value for maximum allowed EF/SD steps=     0.20000000
 fetchz> Minimum value for maximum allowed EF/SD steps=     0.01000000
 fetchz> Value of pushoff from stationary points of the wrong index=     0.20000000
 fetchz> A pushoff from stationary points of the wrong index may be applied when the RMS force <     0.00001000
 fetchz> pushoff from ts determined by golden section search in the range zero to +/-     0.2000000000    
         Maximum golden ratio iterations        100 step size convergence     0.1000000000E-03


 rotcon> Rotational constants (in cm-1) and principal moments of inertia: 
        0.98541         0.98541         0.98541        61.09121        61.09121        61.09121
 symmetry> The full molecular point group is O h .
 symmetry> The largest Abelian subgroup of the full molecular point group is D2h .
 symmetry> Distance tolerance=     0.00010 Inertia tolerance=     0.00010
 symmetry> Order of full point group=    48
 OPTIM> Using translational/rotational ev shift=     1000000.000    
 OPTIM> Initial energy=    -173.9284266     RMS force=    0.3229923587E-07
 OPTIM> Final energy  =    -173.2523784     RMS force=    0.3300910566E-07
OPTIM> Bad endpoints supplied - RMS force too big!
 OPTIM> Acceptable RMS force would be less or equal to     0.1000000000E-07
 rotcon> Rotational constants (in cm-1) and principal moments of inertia: 
        0.98541         0.98541         0.98541        61.09121        61.09121        61.09121
 symmetry> The full molecular point group is O h .
 symmetry> The largest Abelian subgroup of the full molecular point group is D2h .
 symmetry> Distance tolerance=     0.00010 Inertia tolerance=     0.00010
 symmetry> Order of full point group=    48

 geopt>                          **** CONVERGED ****

OPTIM> Reoptimised initial end point coordinates:
     1.343677401       -0.7512020812        0.8313045473    
    -1.491599078        0.5722210661        0.7131171139    
   -0.9538290082       -0.2818042752       -0.9117696513    
    0.4569438180       -0.9403112773       -0.8529621168    
    0.1747236806        0.5226126065         1.660478387    
   -0.7215461286        -1.496970442        0.5470753652    
    -1.343677401        0.7512020812       -0.8313045471    
    0.8553785175       -0.1506346504        -1.518709178    
   -0.4569438179        0.9403112773        0.8529621170    
     1.354681760         1.077428230        0.2546105158    
   -0.1747236805       -0.5226126065        -1.660478387    
   -0.5588144212        0.5094687589        -1.577659279    
    -1.094632511         1.363741234        0.5320044160E-01
    0.5736244520         1.317989427        0.9973462960    
     1.491599078       -0.5722210661       -0.7131171137    
     1.740643968        0.4031808713E-01    0.1713878750    
    0.7215461288         1.496970442       -0.5470753650    
    0.4712877767        0.8814467150        -1.435890071    
   -0.5951117895E-01     1.737531639        0.1956604152    
   -0.3093798780         1.118859441       -0.6877244838    
     1.101392948        0.4603524392       -0.6289169493    
   -0.8553785174        0.1506346504         1.518709179    
   -0.5736244519        -1.317989427       -0.9973462958    
    -1.740643968       -0.4031808713E-01   -0.1713878748    
    0.5588144213       -0.5094687589         1.577659279    
     1.094632511        -1.363741234       -0.5320044140E-01
    -1.101392948       -0.4603524392        0.6289169495    
    -1.354681760        -1.077428230       -0.2546105156    
    0.5951117906E-01    -1.737531639       -0.1956604150    
    0.3093798781        -1.118859441        0.6877244840    
   -0.4712877766       -0.8814467150         1.435890071    
    0.3209547093        0.6975719180        0.1115811137    
    0.9538290083        0.2818042752        0.9117696515    
    0.7349120242E-01    0.8892226143E-01   -0.7673074518    
    0.7026065535       -0.3279559448        0.2928788996E-01
   -0.7026065534        0.3279559448       -0.2928788977E-01
   -0.7349120231E-01   -0.8892226142E-01    0.7673074520    
   -0.3209547092       -0.6975719180       -0.1115811135    
 rotcon> Rotational constants (in cm-1) and principal moments of inertia: 
        0.77294         1.05207         1.05207        57.22045        57.22045        77.88395
 symmetry> The full molecular point group is C5v .
 symmetry> The largest Abelian subgroup of the full molecular point group is C s .
 symmetry> Distance tolerance=     0.00010 Inertia tolerance=     0.00010
 symmetry> Order of full point group=    10

 geopt>                          **** CONVERGED ****

OPTIM> Reoptimised finish end point coordinates:
     1.534176039       -0.6644671531         1.007638965    
    -1.846080893        0.4818899189        0.4126941254    
    -1.201211939       -0.7184489462        -1.360687322    
    0.8879017357        -1.426936580       -0.9929911896    
   -0.1555181506        0.5152525019         1.876400267    
   -0.5653865336        -1.312717275        0.6829356108    
    -1.544823537         1.005823965       -0.5264123958    
    0.7115989855       -0.5695770847        -1.686558759    
   -0.3542929692         1.414440801         1.244630601    
     1.576970308        0.4513813120        0.9923160690    
   -0.3493486157       -0.2097746170        -1.873291695    
    -1.217329548        0.3962369163        -1.427016712    
    -1.212838154         1.397497754        0.5012935871    
    0.7188662137         1.050496982         1.433512846    
     1.580026086       -0.5524390215       -0.9346658841    
     1.908233775       -0.1652221269        0.8134573340E-01
    0.9155187394         1.055427132        0.3474355509    
    0.3750140598        0.4177438894        -1.325770324    
   -0.1643152713         1.421634607        0.1573784975    
   -0.4983655343         1.027524689       -0.8767196037    
     1.248842597        0.4349885478       -0.5692008314    
    -1.003043796        0.5050306320         1.146992075    
   -0.1554087617        -1.072730661        -1.183993522    
    -1.528052710       -0.1143708261       -0.4782445460    
    0.6940735050       -0.7051804959E-01     1.445694570    
     1.217940766        -1.045628155        0.5066244076E-02
    -1.204973648       -0.4133584858        0.5467860764    
   -0.8824998865        -1.013601042       -0.3400126800    
    0.1621842176        -1.367888019       -0.1561422142    
    0.4853607394       -0.9866068568        0.8442947397    
   -0.3595892898       -0.3966751619         1.278728315    
    0.2254401506        0.5234280664       -0.2723112377    
    0.8602086600       -0.6916127349E-01    0.3596173991    
   -0.4771549400       -0.9555361196E-01   -0.7982853904    
    0.5442374942       -0.4419416126       -0.6185143936    
   -0.7924390142        0.4913062848        0.6874181616E-01
    0.3409714589E-01    0.5076176470        0.7843650957    
   -0.1680180236       -0.3901050857        0.2029505211    
 OPTIM> Initial energy=    -173.9284266     RMS force=    0.8066541347E-08
 OPTIM> Final energy  =    -173.2523784     RMS force=    0.8756454443E-08
 KeyConnect> Maximum cycles = 1, maximum images = 30
 KeyConnect> Maximum attempts per pair of minima = 1, with increment image density of 5.00
 KeyConnect> Image density = 10.00, iteration density = 20.00
 KeyNEB> Initial and final NEB force constants     100.0000000        5.500000000     factor=   0.9900000000    
 KeyNEB> Number of images will vary depending on the separation of the endpoints
 KeyGrad> Overall rotation and translation will NOT be removed
 KeyGrad> Using doubly nudged elastic band gradient
 KeyOutput> Transition state candidates will be optimized
 KeyOutput> Concise printing during transition states optimization
 KeyOutput> Transition state candidates are maxima along NEB
 KeyMin> Maximal number of iterations will vary, depending on the number of images in the band
 KeyMin> RMS convergence criterion is set to 0.000001
 KeyMin> L-BFGS minimization
 KeyLBFGS> Maximum step size per image =     0.2000000000    
 KeyLBFGS> 4 Hessian updates per iteration
 KeyLBFGS> Guess for inverse Hessian diagonal elements =     0.1000000000E-02
 KeyTau> Using Henkelman and Jonsson's improved tangent
 KeyConnect> Using 200 images and 11000 iterations in the first NEB run
 KeyDecide> Cost function in Dijkstra algorithm is Exp[D]

 >>>>>>>>>>>>>>>>>>>>> CONNECT CYCLE 1 >>>>>>>>>>>>>>>>>>>>> 2 minima and 0 ts are known >>>>>>>>>>>>>>>>>>>>
 decide> Shortest path in Dijkstra has      1 steps with      1 missing connections, weight=     23.007    
 decide> The unconnected minima in the chain and their distances are:
     2        3.14     1 
 
 tryconnect> First DNEB calculation will use parameters from the NEWNEB line in odata

 tryconnect> 11000-iteration DNEB run for minima 1_S and 2_F using 200 images  (DNEB attempt #1)  ...
 imageredistribution> total distance=     3.135806188     regular spacing     0.1560102581E-01
tangent vector problem for image      199 WMINUS and WPLUS=    0.3694822226E-12     0.000000000     EL,EM,ER=    -173.2523784        -173.2523784        -173.2523784    
tangent vector problem for image        4 WMINUS and WPLUS=    0.3410605132E-12    0.5684341886E-13 EL,EM,ER=    -173.9284266        -173.9284266        -173.9284266    
tangent vector problem for image        2 WMINUS and WPLUS=    0.1421085472E-12     0.000000000     EL,EM,ER=    -173.9284266        -173.9284266        -173.9284266    
tangent vector problem for image      199 WMINUS and WPLUS=    0.1421085472E-12     0.000000000     EL,EM,ER=    -173.2523784        -173.2523784        -173.2523784    
tangent vector problem for image        6 WMINUS and WPLUS=    0.1705302566E-12     0.000000000     EL,EM,ER=    -173.9284266        -173.9284266        -173.9284266    
tangent vector problem for image        5 WMINUS and WPLUS=     1.000000000         0.000000000     EL,EM,ER=    -173.9284266        -173.9284266        -173.9284266    
tangent vector problem for image      187 WMINUS and WPLUS=     1.000000000         0.000000000     EL,EM,ER=    -173.2523784        -173.2523784        -173.2523784    
tangent vector problem for image        2 WMINUS and WPLUS=    0.1989519660E-12    0.5684341886E-13 EL,EM,ER=    -173.9284266        -173.9284266        -173.9284266    
tangent vector problem for image      197 WMINUS and WPLUS=    0.1989519660E-12    0.5684341886E-13 EL,EM,ER=    -173.2523784        -173.2523784        -173.2523784    
tangent vector problem for image        6 WMINUS and WPLUS=    0.2842170943E-13     0.000000000     EL,EM,ER=    -173.9284266        -173.9284266        -173.9284266    
tangent vector problem for image      195 WMINUS and WPLUS=     1.000000000         0.000000000     EL,EM,ER=    -173.2523784        -173.2523784        -173.2523784    
tangent vector problem for image        1 WMINUS and WPLUS=    0.1705302566E-12    0.8526512829E-13 EL,EM,ER=    0.8068091997-320    -173.9284266        -173.9284266    
tangent vector problem for image        7 WMINUS and WPLUS=     1.000000000         0.000000000     EL,EM,ER=    -173.9284266        -173.9284266        -173.9284266    
 imageredistribution> total distance=     9.975661922     regular spacing     0.4963015882E-01
 lbfgs> Images equispaced at      350 steps
 imageredistribution> total distance=     10.06454364     regular spacing     0.5007235640E-01
 lbfgs> Images equispaced at      700 steps
 imageredistribution> total distance=     10.09439998     regular spacing     0.5022089544E-01
 lbfgs> Images equispaced at     1050 steps
 imageredistribution> total distance=     9.119923052     regular spacing     0.4537275150E-01
 lbfgs> Images equispaced at     1400 steps
 imageredistribution> total distance=     8.969821808     regular spacing     0.4462597914E-01
 lbfgs> Images equispaced at     1750 steps
 imageredistribution> total distance=     9.199660005     regular spacing     0.4576945276E-01
 lbfgs> Images equispaced at     2100 steps
 imageredistribution> total distance=     9.241529068     regular spacing     0.4597775656E-01
 lbfgs> Images equispaced at     2450 steps
 imageredistribution> total distance=     9.334701935     regular spacing     0.4644130316E-01
 lbfgs> Images equispaced at     2800 steps
 imageredistribution> total distance=     9.320985336     regular spacing     0.4637306137E-01
 lbfgs> Images equispaced at     3150 steps
 imageredistribution> total distance=     9.367187301     regular spacing     0.4660292190E-01
 lbfgs> Images equispaced at     3500 steps
 imageredistribution> total distance=     9.415354318     regular spacing     0.4684255880E-01
 lbfgs> Images equispaced at     3850 steps
 imageredistribution> total distance=     9.371087175     regular spacing     0.4662232426E-01
 lbfgs> Images equispaced at     4200 steps
 imageredistribution> total distance=     9.385215155     regular spacing     0.4669261271E-01
 lbfgs> Images equispaced at     4550 steps
 imageredistribution> total distance=     9.358866069     regular spacing     0.4656152273E-01
 lbfgs> Images equispaced at     4900 steps
 imageredistribution> total distance=     9.275987328     regular spacing     0.4614919069E-01
 lbfgs> Images equispaced at     5250 steps
 imageredistribution> total distance=     9.554230738     regular spacing     0.4753348626E-01
 lbfgs> Images equispaced at     5600 steps
 imageredistribution> total distance=     9.552273698     regular spacing     0.4752374974E-01
 lbfgs> Images equispaced at     5950 steps
 imageredistribution> total distance=     9.514038537     regular spacing     0.4733352506E-01
 lbfgs> Images equispaced at     6300 steps
 imageredistribution> total distance=     9.384982205     regular spacing     0.4669145376E-01
 lbfgs> Images equispaced at     6650 steps
 imageredistribution> total distance=     9.532168028     regular spacing     0.4742372153E-01
 lbfgs> Images equispaced at     7000 steps
 imageredistribution> total distance=     9.531575628     regular spacing     0.4742077427E-01
 lbfgs> Images equispaced at     7350 steps
 imageredistribution> total distance=     9.505689256     regular spacing     0.4729198635E-01
 lbfgs> Images equispaced at     7700 steps
 imageredistribution> total distance=     9.487975725     regular spacing     0.4720385933E-01
 lbfgs> Images equispaced at     8050 steps
 imageredistribution> total distance=     9.660810117     regular spacing     0.4806373193E-01
 lbfgs> Images equispaced at     8400 steps
 imageredistribution> total distance=     9.505360987     regular spacing     0.4729035317E-01
 lbfgs> Images equispaced at     8750 steps
 imageredistribution> total distance=     9.340852952     regular spacing     0.4647190524E-01
 lbfgs> Images equispaced at     9100 steps
 imageredistribution> total distance=     9.451182452     regular spacing     0.4702080822E-01
 lbfgs> Images equispaced at     9450 steps
 imageredistribution> total distance=     9.404520055     regular spacing     0.4678865699E-01
 lbfgs> Images equispaced at     9800 steps
 imageredistribution> total distance=     9.500109347     regular spacing     0.4726422561E-01
 lbfgs> Images equispaced at    10150 steps
 imageredistribution> total distance=     9.559803568     regular spacing     0.4756121178E-01
 lbfgs> Images equispaced at    10500 steps
 imageredistribution> total distance=     9.543556979     regular spacing     0.4748038298E-01
 lbfgs> Images equispaced at    10850 steps
 Time to go through NEB:    82.486711000000000     
 Double-ended search iterations= 11000 RMS= 0.0070 Dev= 1.35% S= 9.51 time= 82.49
 Following    8 images are candidates for TS:   40   53   79  100  128  143  153  183  
 Converged to TS (number of iterations):          5
 Converged to TS (number of iterations):          4
 Converged to TS (number of iterations):          8
 Converged to TS (number of iterations):          8
 Converged to TS (number of iterations):          7
 Converged to TS (number of iterations):          7
 Converged to TS (number of iterations):          7
 Converged to TS (number of iterations):          4
 DNEB run yielded 8 true transition state(s) time=      0.08
 Energies:
  -169.36194596420893     
  -169.26553265375341     
  -168.75910775955259     
  -168.90793003314869     
  -168.27710688968369     
  -168.33176742432238     
  -168.45955092077514     
  -170.87749266069082     

 >>>>>  Path run for ts 1 ...
 path> golden section + pushoff, energy, delta, step:     -169.382856732446       -0.209107682371723E-01    0.124091990603651    
 Plus  side of path:                    2051 steps. Energy=    -169.4031028       time=       0.20
 path> golden section - pushoff, energy, delta, step:     -169.429680350254       -0.677343860455153E-01   -0.199954689614734    
 Minus side of path:                    1680 steps. Energy=    -173.9284266       time=       0.17

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -169.4031028 0.41157E-01     -169.3619460  4.5665         -173.9284266   2.795   1.263   4.321   8.795
        *NEW* (Placed in 3)                                     Known (#1)
 Unconnected minimum 3 found its way to S set.

 >>>>>  Path run for ts 2 ...
 path> golden section + pushoff, energy, delta, step:     -169.294289538897       -0.287568851437641E-01    0.199954689614734    
 Plus  side of path:                    2051 steps. Energy=    -169.4031028       time=       0.20
 path> golden section - pushoff, energy, delta, step:     -169.266606936047       -0.107428229324569E-02   -0.694035143911293E-01
 Minus side of path:                    2051 steps. Energy=    -169.2669205       time=       0.20

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -169.4031028 0.13757         -169.2655327 0.13878E-02     -169.2669205   0.601   0.485   3.824   9.938
        Known (#3)                                              *NEW* (Placed in 4)
 addnewmin> Distance between minima     0.485397 is less than tolerance
 addnewmin> Energies are     -169.4031028        -169.2669205    
 Unconnected minimum 4 found its way to S set.

 >>>>>  Path run for ts 3 ...
 path> golden section + pushoff, energy, delta, step:     -168.825791913999       -0.666841544462216E-01    0.199954689614734    
 Plus  side of path:                    2056 steps. Energy=    -169.2669205       time=       0.20
 path> golden section - pushoff, energy, delta, step:     -168.799838984586       -0.407312250337668E-01   -0.186855078843714    
 Minus side of path:                    2051 steps. Energy=    -169.3044657       time=       0.21

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -169.2669205 0.50781         -168.7591078 0.54536         -169.3044657   3.555   1.704   2.372  16.019
        Known (#4)                                              *NEW* (Placed in 5)
 Unconnected minimum 5 found its way to S set.

 >>>>>  Path run for ts 4 ...
 path> golden section + pushoff, energy, delta, step:     -168.970312932734       -0.623828995853728E-01    0.199954689614734    
 Plus  side of path:                    2051 steps. Energy=    -170.9924926       time=       0.20
 path> golden section - pushoff, energy, delta, step:     -168.949880089499       -0.419500563502595E-01   -0.199954689614734    
 Minus side of path:                    2051 steps. Energy=    -169.3044657       time=       0.20

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -170.9924926  2.0846         -168.9079300 0.39654         -169.3044657   5.212   1.924   2.034  18.679
        *NEW* (Placed in 6)                                     Known (#5)
 Unconnected minimum 6 found its way to S set.

 >>>>>  Path run for ts 5 ...
 path> golden section + pushoff, energy, delta, step:     -168.329510170966       -0.524032812826078E-01    0.195697442368616    
 Plus  side of path:                    2051 steps. Energy=    -168.4153195       time=       0.20
 path> golden section - pushoff, energy, delta, step:     -168.298376810100       -0.212699204158184E-01   -0.143368227364952    
 Minus side of path:                    2081 steps. Energy=    -170.9924926       time=       0.20

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -168.4153195 0.13821         -168.2771069  2.7154         -170.9924926   5.066   1.492   3.174  11.973
        *NEW* (Placed in 7)                                     Known (#6)
 Unconnected minimum 7 found its way to S set.

 >>>>>  Path run for ts 6 ...
 path> golden section + pushoff, energy, delta, step:     -168.368145123282       -0.363776989595124E-01    0.199954689614734    
 Plus  side of path:                    2228 steps. Energy=    -169.3558662       time=       0.22
 path> golden section - pushoff, energy, delta, step:     -168.372707721653       -0.409402973305930E-01   -0.199954689614734    
 Minus side of path:                    2051 steps. Energy=    -168.4153195       time=       0.20

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -169.3558662  1.0241         -168.3317674 0.83552E-01     -168.4153195   3.231   1.416   2.709  14.030
        *NEW* (Placed in 8)                                     Known (#7)
 Unconnected minimum 8 found its way to S set.

 >>>>>  Path run for ts 7 ...
 path> golden section + pushoff, energy, delta, step:     -168.520661111538       -0.611101907624629E-01    0.199954689614734    
 Plus  side of path:                    2051 steps. Energy=    -170.9568946       time=       0.20
 path> golden section - pushoff, energy, delta, step:     -168.460446883193       -0.895962417843066E-03   -0.428550311365636E-01
 Minus side of path:                    2233 steps. Energy=    -169.3558662       time=       0.22

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -170.9568946  2.4973         -168.4595509 0.89632         -169.3558662   4.214   1.696   5.802   6.549
        *NEW* (Placed in 9)                                     Known (#8)
 Unconnected minimum 9 found its way to S set.

 >>>>>  Path run for ts 8 ...
 path> golden section + pushoff, energy, delta, step:     -170.912305229269       -0.348125685777632E-01    0.166811090600418    
 Plus  side of path:                    2051 steps. Energy=    -170.9568946       time=       0.20
 path> golden section - pushoff, energy, delta, step:     -171.045680834152       -0.168188173461232       -0.199954689614734    
 Minus side of path:                    1940 steps. Energy=    -173.2523784       time=       0.19

         E+        Ets - E+           Ets       Ets - E-           E-          S       D      gamma   ~N
     -170.9568946 0.79402E-01     -170.8774927  2.3749         -173.2523784   1.478   1.090   7.736   4.912
        Known (#9)                                              Known (#2)
 Connected path found
  ts        E+         Ets - E+          Ets       Ets - E-          E-          S       D      gamma   ~N
   1     -173.9284266  4.5665        -169.3619460 0.41157E-01    -169.4031028   2.795   1.263   4.321   8.795
   2     -169.4031028 0.13757        -169.2655327 0.13878E-02    -169.2669205   0.601   0.485   3.824   9.938
   3     -169.2669205 0.50781        -168.7591078 0.54536        -169.3044657   3.555   1.704   2.372  16.019
   4     -169.3044657 0.39654        -168.9079300  2.0846        -170.9924926   5.212   1.924   2.034  18.679
   5     -170.9924926  2.7154        -168.2771069 0.13821        -168.4153195   5.066   1.492   3.174  11.973
   6     -168.4153195 0.83552E-01    -168.3317674  1.0241        -169.3558662   3.231   1.416   2.709  14.030
   7     -169.3558662 0.89632        -168.4595509  2.4973        -170.9568946   4.214   1.696   5.802   6.549
   8     -170.9568946 0.79402E-01    -170.8774927  2.3749        -173.2523784   1.478   1.090   7.736   4.912

 Number of TS in the path       =      8
 Number of cycles               =      1

 Elapsed time=                                88.43
 OPTIM> # of energy calls=                      53688 time=           0.30 %=  0.3
 OPTIM> # of energy+gradient calls=           2291212 time=          24.26 %= 27.4
 OPTIM> # of energy+gradient+Hessian calls=        74 time=           0.00 %=  0.0
