
 VERSION This is OPTIM.2.2 version of 30/3/01 dimensioned for  480 atoms

 RUNTYPE Hybrid EF/BFGS transition state search, maximum steps= 200, maximum tangent space steps=   3 or   10 at convergence
 RUNTYPE Uphill mode is    0 for initial step and    0 after that
 RUNTYPE No Hessian: eigenvector determined by minimization, allowed steps=  10 convergence for RMS <       0.0050

 Reading coordinates from file C1785.ts                                                                        

 SETTINGS Scaling steps according to trust radius=     0.05000
 SETTINGS Point group checked when RMS force <     0.00100000, highest symmetry axis tested for=  6
 SETTINGS Convergence criterion for LBFGS optimization: RMS force< 0.20000000E-04
 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< 0.50000000E-02 RMS force< 0.20000000E-04
 SETTINGS Warnings will be issued if atoms become closer than 0.5 units
 SETTINGS Eigenvector corresponding to smallest eigenvalue will be dumped at the final step
 SETTINGS Initial maximum for EF/SD steps=     0.15000000
 SETTINGS Maximum value for maximum allowed EF/SD steps=     0.30000000
 SETTINGS Minimum value for maximum allowed EF/SD steps=     0.01000000
 SETTINGS Value of pushoff from stationary points of the wrong index=     0.20000000
 SETTINGS A pushoff from stationary points of the wrong index may be applied when the RMS force <     0.00001000


 Rotational constants (in cm-1): 
   0.02980        0.03155        0.03455
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 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
********************************************************************************
No shifting

 Beginning of optimization cycle    1.
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