J. Espinosa-Garcia, J. Sanson, and J. C. Corchado                          
  J. Chem. Phys., Vol. 109, p. 466, 1998                                     
                                                                             
                                                                             
                                                                             


   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       Si                                  Si
  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  Si 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 SiH 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         3.55454132610741

  Derivative          -.00096991577      .01247680776      .06086918628
  Derivative          -.38768401917     -.70935781693     -.37011316713
  Derivative          -.01036516923      .00446462616    -1.52392158506
  Derivative         -1.49419040526     -.03347992677      .50778868666
  Derivative           .71827170069    -1.31038314474      .51091551292
  Derivative          1.17493780873     2.03627945452      .81446136634