PREPOT has been called for the HI2 KK 
 potential energy surface.  Scalar version 
 (optimized) including analytic first 
 derivatives in internal coordinates.
 Last modified 7 February 1997 (TCA).

          H-I         I-I'        H-I' 
 De       3.3303      3.3303      1.5567    eV
 Re       3.0236      3.0236      5.0457    bohr
 B        0.9260      0.9260      0.9843    bohr**-1
 S        0.2000      0.2000      0.1250

 1.00 hartree =  27.2113961 eV



  J. A. Kaye and A. Kuppermann,                                              
  Chem. Phys. Lett. 77, 573(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       I                                   I 
  Atom  2 is       H                                   H 
  Atom  3 is       I                                   I 


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

  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         2.98438065370439

  Derivative          2.70457780810    -2.48284461989     0.00000000000
  Derivative          1.95870321680     0.79510431512     0.00000000000
  Derivative         -4.66328102490     1.68774030477     0.00000000000