PREPOT2 has been called for the OH2 potential energy surface DIM
    Parameters for the potential energy surface



Title card in potential input data file: 

 RMOFIT to DIM surface with BEBO continuations                                  
    Step size for the numerical derivative calculation =     8.0000000000E-09

    Bond                                      O-H        H-H        H-O
    Dissociation energies (kcal/mol):       105.64000  109.48900  105.64000
    Equilibrium bond lengths (Angstroms):     1.24148    1.47341    1.24148
    Morse beta parameters (Angstroms**-1):    2.30480    1.94200    2.30480

    R1S, R2S, VSP =    2.21208    2.21531  109.48900

                       Phi            De                  Re            Beta
                      0.00000      109.44090             1.47341        1.94244
                      2.00000      109.42120             1.47426        1.94054
                      4.00000      109.40040             1.47685        1.93621
                      6.00000      109.37750             1.48121        1.92956
                     18.00000      108.84120             1.54528        1.82575
                     24.00000      107.74170             1.59918        1.71996
                     30.00000      105.51170             1.65596        1.60389
                     34.00000      103.02570             1.68161        1.53886
                     38.00000       99.66266             1.68040        1.49075
                     44.00000       96.30693             1.62635        1.52568
                     48.00000       96.37480             1.57227        1.62058
                     54.00000       98.11765             1.48616        1.78898
                     60.00000      100.01380             1.40880        1.94284
                     76.00000      102.98220             1.27371        2.22264
                     86.00000      103.89290             1.24172        2.29416
                     88.00000      104.03090             1.23982        2.29911
                     90.00000      104.15720             1.23939        2.30107

    For the asymptote: MO parameter value = (asymp. value)+C*EXP(-A*(RI-RIS))
         CBC(I); I=1,3:        -0.04816         7.87322         0.00000
         ABC(I); I=1,3:         7.87322         0.00044         7.87322
         CAB(I); I=1,3:        -1.48280         1.93207        -0.00208
         AAB(I); I=1,3:         1.93207        -0.00373         1.93207

    Parameters for the bending potential initialized in BLOCK DATA
         Equilibrium bond distances (Angstroms):
                  9.6966000000E-01     7.4144000000E-01     9.6966000000E-01
         Dissociation energies (kcal/mol):           1.0656000000E+02
         Morse Beta parameters (Angstroms**-1):      2.0794200000E+00
         Pauling parameter (Angstroms):              2.6000000000E-01
         Gamma (unitless):                           4.1310000000E-01
         RBB (Angstroms):                            7.4144000000E-01


  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       O                                   O 
  Atom  2 is       H                                   H 
  Atom  3 is       H                                   H 


  Atom  1  O  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
  O 

  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         0.03772646130068

  Derivative          0.05104300879    -0.07253836539     0.00000000000
  Derivative         -0.00143653036     0.05637933379     0.00000000000
  Derivative         -0.04960647843     0.01615903160     0.00000000000