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

    ClH2 DIM-3C potential energy surface

    Parameters:
    HH parameters (atomic units):
         RHH   =   1.40160E+00         AHH   =   1.02910E+00
         DHH   =   1.74450E-01         BHH   =   1.80000E-02
    HCl parameters (atomic units):
         RHCl  =   2.40900E+00         AHCl  =   9.86000E-01
         DHCl  =   1.69600E-01         BHCl  =   1.30000E-02

    Other parameters (atomic units):
         ETAHH =   3.93764E-01         ETA3S =   3.21000E-01
         ETA1P =   2.02860E-01         ETA3P =   1.77100E-01
         XIH   =   1.00000E+00         XIX   =   2.03300E+00
         G     =   3.30000E-01         ALFW  =   1.00000E+00

 *****


  I. Last and M. Baer                                                        
  Chem. Phys. Lett. 73, 514(1980)                                            
  J. Chem. Phys. 75, 288 (1981)                                              
                                                                             
                                                                             


   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         0.16518834975351

  Derivative          0.20135105476    -0.26983898582     0.00000000000
  Derivative          0.02360142299     0.19613143357     0.00000000000
  Derivative         -0.22495247775     0.07370755225     0.00000000000