J. C. Corchado and J. Espinosa-Garcia                                      
  J. Chem. Phys., Vol. 106, p. 4013, 1997                                    
                                                                             
                                                                             
                                                                             


   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       N                                   N 
  Atom  3 is       H                                   H 
  Atom  4 is       H                                   H 
  Atom  5 is       H                                   H 


  Atom  1  H  is a member of Reactant #1
  Atom  2  N  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 #2

  The Potential Energy is Zero for the following
  geometric arrangement:  The reactants are at
  their equilibrium geometries, widely separated.


  Reactant #1
  H N 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          .78393502633810

  Derivative          -.00220707101     -.04963068335     -.15150356709
  Derivative          1.35114910004      .43229031863     1.07191474959
  Derivative          -.02578002833      .05040542912    -1.71663145481
  Derivative         -1.64614802747      .04068918962      .55475414681
  Derivative           .32298602677     -.47375425403      .24146612550