J. Espinosa-Garcia                                                         
  J. Chem. Phys., Vol. 111, p. 9330, 1999                                    
                                                                             
                                                                             
                                                                             


   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       H                                   H 
  Atom  2 is       Ge                                  Ge
  Atom  3 is       H                                   H 
  Atom  4 is       H                                   H 
  Atom  5 is       H                                   H 
  Atom  6 is       H                                   H 


  Atom  1  H  is a member of Reactant #1
  Atom  2  Ge is a member of Reactant #1
  Atom  3  H  is a member of Reactant #1
  Atom  4  H  is a member of Reactant #1
  Atom  5  H  is a member of Reactant #1
  Atom  6  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
  H GeH H H 

  Reactant #2
  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         5.09017189845334

  Derivative          -.00040519965      .01451698026      .06404066055
  Derivative          -.69195907717    -1.23558419455     -.57877763598
  Derivative          -.00660422208      .01004004581    -2.00029479248
  Derivative         -1.92861561287     -.02354326290      .66813716683
  Derivative           .94403704072    -1.68203101267      .67088449074
  Derivative          1.68354707106     2.91660144405     1.17601011034