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

    FH2 M5 extended LEPS potential energy surface

    Parameters:
    Bond                                      F-H        H-H        H-F
    Dissociation energies (kcal/mol):       141.19600  109.44900  141.19600
    Equilibrium bond lengths (Angstroms):     0.91700    0.74190    0.91700
    Morse beta parameters (Angstroms**-1):    2.21870    1.94200    2.21870
    Sato parameters:                          0.16700    0.10600    0.16700

 *****


  J. T. Muckerman                                                            
  Theor. Chem. Advan. Perspectives 6A, 1(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       F                                   F 
  Atom  2 is       H                                   H 
  Atom  3 is       H                                   H 


  Atom  1  F  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
  F 

  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         0.01490050151967

  Derivative          0.03085900863    -0.00926958440     0.00000000000
  Derivative          0.05526864245    -0.02163484460     0.00000000000
  Derivative         -0.08612765108     0.03090442900     0.00000000000