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

    ClH2 GQ 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

    Parameters for the three-center term:
    J    =   0.76720E-01               ALFP  =   0.86300E-03
    BETP =   0.15000E+00               ALFT  =   0.30000E+00
    Q2   =   0.00000E+00               Q4    =   0.17250E+01

 *****


  D. W. Schwenke, S. C. Tucker, R. Steckler,                                 
  F. B. Brown, G. C. Lynch, D. G. Truhlar,                                   
  B. C. Garrett                                                              
  J. Chem. Phys. 90, 3110(1989)                                              
                                                                             


   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         0.14362018926983

  Derivative          0.20479131799    -0.29753982075     0.00000000000
  Derivative         -0.04277358625     0.23668370526     0.00000000000
  Derivative         -0.16201773174     0.06085611549     0.00000000000