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

    FH2 5SECW potential energy surface

         XHF:         2.297037            0.359790           -0.148502
         XHH:        -0.336349            0.119602           -0.006173
         P:          -0.171730           -0.031965
                     -0.201948           -0.095972
         C3C, ALF:                        0.327847            0.180000
         ALFP, ALFT:                      0.081831            2.140000
         P3C, Q3C:                        0.950000            1.000000
         BETP:                            0.180000

 *****


  G. C. Lynch, P. Halvick, M. Zhao, D. G. Truhlar,                           
  C.-h. Yu, D. J. Kouri, D. W. Schwenke                                      
  J. Chem. Phys. 94, 7150(1991)                                              
                                                                             
                                                                             


   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        -0.00218467103281

  Derivative          0.01784493468    -0.00347189775     0.00000000000
  Derivative          0.07189744619    -0.01555335728     0.00000000000
  Derivative         -0.08974238086     0.01902525503     0.00000000000