PREPOT has been called for the OH2 potential energy surface JW
    LEPS functional form

    Potential energy surface parameters:
    Bond                                      O-H        H-H        H-O
    Dissociation energies (kcal/mol):       106.60000  109.40000  106.60000
    Equilibrium bond lengths (Angstroms):     0.97060    0.74170    0.97060
    Morse beta parameters (Angstroms**-1):    2.29400    1.94200    2.29400
    Sato parameters:                          0.08850    0.08850    0.08850



  B. R. Johnson, N. W. Winter                                                
  J. Chem. Phys. 66, 4116(1977)                                              
                                                                             
                                                                             
                                                                             


   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       O                                   O 
  Atom  2 is       H                                   H 
  Atom  3 is       H                                   H 


  Atom  1  O  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
  O 

  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         0.04818715219770

  Derivative          0.05848094786    -0.06340888516     0.00000000000
  Derivative          0.00830072181     0.03285646770     0.00000000000
  Derivative         -0.06678166967     0.03055241746     0.00000000000