
 VERSION This is OPTIM.2.3 version of 30/11/01 dimensioned for  257 atoms

 RUNTYPE One EF step will be taken before BFGS minimization

 Reading coordinates from file Cut40.ts                                                                        

 SETTINGS Scaling steps according to trust radius=     2.00000
 SETTINGS Initial eigenvector will be read from vector.dump
 SETTINGS Point group checked when RMS force <     0.00100000, highest symmetry axis tested for=  6
 SETTINGS Initial distance and eigenvalue tolerances in symmetry determination=     0.00010000     0.00010000
 SETTINGS Minimum number of optimization steps=    10
 SETTINGS RMS convergence reset to the LBFGS convergence limit
 SETTINGS Convergence criterion for LBFGS optimization: RMS force< 0.20000000E-04 maximum steps=  1800
 SETTINGS Number of updates before reset in LBFGS=  4
 SETTINGS Number of updates before reset in XLBFGS= 4
 SETTINGS Initial guess for diagonal elements in LBFGS=     0.1000
 SETTINGS Initial guess for diagonal elements in XLBFGS=    0.1000
 SETTINGS Maximum step size in LBFGS=     0.2000
 SETTINGS Maximum step size in XLBFGS=    0.2000
 SETTINGS Convergence criteria: EF step< 0.10000000E-04 RMS force< 0.20000000E-04
 SETTINGS Warnings will be issued if atoms become closer than 0.5 units
 SETTINGS Initial maximum for EF/SD steps=     0.20000000
 SETTINGS Maximum value for maximum allowed EF/SD steps=     0.50000000
 SETTINGS Minimum value for maximum allowed EF/SD steps=     0.01000000
 SETTINGS Value of pushoff from stationary points of the wrong index=     0.10000000
 SETTINGS A pushoff from stationary points of the wrong index may be applied when the RMS force <     0.00002000


 Rotational constants (in cm-1) and principal moments of inertia: 
        0.03214             0.03319             0.03365          1788.93458          1813.53742          1873.12380
********************************************************************************
 The full molecular point group is C1  .
 The largest Abelian subgroup of the full molecular point group is C1  .
 Distance tolerance=     0.00010 Inertia tolerance=     0.00010
 Order of full point group=     1
********************************************************************************
 Using translational/rotational shift=     1000000.000    
 Reaction vector read successfully. Eigenvalue=          -0.4696713125

