Jordan and Gilbert,                                                        
  J. Chem. Phys. 102, 5669(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       H                                   H 
  Atom  2 is       C                                   C 
  Atom  3 is       H                                   H 
  Atom  4 is       H                                   H 
  Atom  5 is       H                                   H 
  Atom  6 is       O                                   O 


  Atom  1  H  is a member of Reactant #1
  Atom  2  C  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  O  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 C H H H 

  Reactant #2
  O 

  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         1.80454957630720

  Derivative         -0.00411893812    -0.02473810899    -0.00288876386
  Derivative         -0.82923032128    -1.48322762566    -0.64379551468
  Derivative         -0.07202032681    -0.06493389293    -0.90516819019
  Derivative         -0.91673647036    -0.12913773405     0.24494453586
  Derivative          0.34747326450    -0.85595398815     0.25255223550
  Derivative          1.47463279206     2.55799134979     1.05435569737