PREPOT has been called for IH2 potential - LEP functional form

    Potential energy surface parameters:
    Bond                                      I-H        H-H        H-I
    Dissociation energies (kcal/mol):        73.78000  109.43000   73.78000
    Equilibrium bond lengths (Angstroms):     1.60400    0.74170    1.60400
    Morse beta parameters (Angstroms**-1):    1.75000    1.94200    1.75000
    Sato parameters:                          0.09150    0.22500    0.09150



  P. J. Kuntz, E. M. Nemeth, J. C. Polanyi,                                  
  S. D. Rosner, C. E. Young,                                                 
  J. Chem. Phys. 44, 1168(1966) [Functional Form]                            
                                                                             
                                                                             


   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       I                                   I 
  Atom  2 is       H                                   H 
  Atom  3 is       H                                   H 


  Atom  1  I  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
  I 

  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         0.50384574536258

  Derivative          0.54961549385    -0.90215372162     0.00000000000
  Derivative         -0.31370333382     0.80215326497     0.00000000000
  Derivative         -0.23591216003     0.10000045666     0.00000000000