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

    BrH2 LEPS potential energy surface

    Parameters:
    Bond                                     Br-H        H-H        H-Br
    Dissociation energies (kcal/mol):        90.32790  109.39600   90.32790
    Equilibrium bond lengths (Angstroms):     1.41381    0.74167    1.41381
    Morse beta parameters (Angstroms**-1):    1.81088    1.94198    1.81088
    Sato parameters:                          0.20000    0.20000    0.20000

 *****


  No Reference                                                               
                                                                             
                                                                             
                                                                             
                                                                             


   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       Br                                  Br
  Atom  2 is       H                                   H 
  Atom  3 is       H                                   H 


  Atom  1  Br 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
  Br

  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         0.24304025125850

  Derivative          0.30777395763    -0.49011226763     0.00000000000
  Derivative         -0.14881565344     0.42490071529     0.00000000000
  Derivative         -0.15895830419     0.06521155233     0.00000000000