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

    BrH2 SEC potential energy surface

    Parameters:
    Bond:                           Br-H       H-H       H-Br
    Dissociation energies:          90.44730 109.55900  90.44730
    Equilibrium bond lengths:        1.41443   0.74144   1.41443
    Morse betas:                     1.81088   1.94198   1.81088
    Parameters for ZHH:                        0.29123   4.99161
    Parameters for ZHBr:                       0.00384   0.00288
    Parameters for V3c:                        1.67458   0.70952

 *****                                         0.18758   0.24352

 *****                                         0.20415


  G. C. Lynch, D. G. Truhlar, F. B. Brown, and J.-g. Zhao                    
  J. Phys. Chem. 99, 207 (1995)                                              
                                                                             
                                                                             
                                                                             


   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         0.26541363786822

  Derivative          0.32418598290    -0.51657060780     0.00000000000
  Derivative         -0.15246314788     0.44807912649     0.00000000000
  Derivative         -0.17172283501     0.06849148130     0.00000000000