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

    BrH2 DIM-3C potential energy surface

    Potential energy surface parameters:
    HH parameters (atomic units):
         RHH   =   1.40160E+00         AHH   =   1.02910E+00
         DHH   =   1.74470E-01         BHH   =   1.80000E-02
    HBr parameters (atomic units):
         RHBr  =   2.67300E+00         AHBr  =   9.57000E-01
         DHBr  =   1.43900E-01         BHBr  =   1.20000E-02

    Other parameters (atomic units):
         ETAHH =   3.93764E-01         ETA3S =   3.22000E-01
         ETA1P =   2.02860E-01         ETA3P =   1.77100E-01
         XIH   =   1.00000E+00         XIX   =   1.60000E+00
         G     =   2.20000E-01         ALFW  =   1.00000E+00

 *****


  D. C. Clary, Chem. Phys. 71, 117 (1982)                                    
  I. Last and M. Baer in                                                     
  Potential Energy Surfaces and Dynamics                                     
  D. G. Truhlar (Ed.) (Plenum, New York, 1981), p. 519                       
                                                                             


   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         0.24774168061461

  Derivative          0.21313125388    -0.34680083673     0.00000000000
  Derivative         -0.06564034144     0.30616551365     0.00000000000
  Derivative         -0.14749091243     0.04063532308     0.00000000000