*****Potential Energy Surface *****

    ClH2 SPK GSW potential energy surface

    Parameters:
    Bond                                     Cl-H        H-H        H-Cl
    Dissociation energies (kcal/mol):       106.44700  109.45800  106.44700
    Equilibrium bond lengths (Angstroms):     1.27320    0.74127    1.27320
    Morse beta parameters (Angstroms**-1):    1.86740    1.94130    1.86740
    Sato parameters:                          0.18700    0.16700    0.18700

 *****


  M. J. Stern, A. Persky, F. S. Klein                                        
  J. Chem. Phys. 58, 5697(1973).                                             
  P. J. Kuntz, E. M. Nemth, J. C. Polanyi,                                   
  S. D. Rosner, C. E. Young                                                  
  J. Chem. Phys. 44, 1168(1966)                                              


   MAX. AND ACTUAL NO. OF EXCITED SURFACES:   0       0
   MAX. AND ACTUAL ORDER OF DERIVATIVES:      1       1

  The potential routine in POTLIB assumes a
  default labeling of the atoms.  The user has
  made the following selection of atomic labels:

               DEFAULT                         USER-SELECTED

  Atom  1 is       Cl                                  Cl
  Atom  2 is       H                                   H 
  Atom  3 is       H                                   H 


  Atom  1  Cl is a member of Reactant #1
  Atom  2  H  is a member of Reactant #2
  Atom  3  H  is a member of Reactant #2

  The Potential Energy is Zero for the following
  geometric arrangement:  The reactants are at
  their equilibrium geometries, widely separated.


  Reactant #1
  Cl

  Reactant #2
  H H 

  The default units are:
     BOHR FOR DISTANCE
     HARTREE FOR ENERGY


  The user has chosen units :
     BOHR                 FOR DISTANCE
     HARTREE              FOR ENERGY


  To reset the zero-of-energy, assign a
  non-zero value to the variable ANUZERO.
  The value of ANUZERO will be SUBTRACTED from
  the energy calculated by this routine.

  GS Energy         0.13798850040299

  Derivative          0.19236639576    -0.28606926399     0.00000000000
  Derivative         -0.03331306968     0.23292739988     0.00000000000
  Derivative         -0.15905332608     0.05314186412     0.00000000000