PREPOT has been called for the IH2 potential energy surface of Raff et al.

    Potential energy surface parameters:
    Bond                                       I-H         H-H         H-H
    Dissociation energies (eV):                3.19400     4.74660     3.19400
    D3 energy values (eV):                     1.44399     1.96680     1.44399
    Alpha:                                     0.94680     1.04435     0.94680
    Beta:                                      0.79400     1.00010     0.79400
    Equilibrium bond lengths (Bohr):           3.03200     1.40200     3.03200

    A:                                        -3.60481     1.00000    -3.60481
    C:                                     73599.62000    25.55300 73599.62000
    Sigma:                                     2.47075     1.67564     2.47075
    RC (Bohr):                                 4.25000     1.60000     4.25000


  L. Raff et al.                                                             
                                                                             
                                                                             
                                                                             
                                                                             


   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         0.53059229290489

  Derivative          0.47704082458    -0.77501717267     0.00000000000
  Derivative         -0.37647970319     0.68332608071     0.00000000000
  Derivative         -0.10056112139     0.09169109196     0.00000000000