generalized valence bond methods on gaussian 94



            we are trying to do calculations on cr-cr for the case
  where the five 3d orbital are unpaired and localized and the bond
  lengths are about 2.8-3.0 angstroms.  Firstly, how many orbitals should
  we use to desribe each pair and how should we define these orbitals.
                          thanks to any helpful advice,
 Monica C. Concha
 Research Associate
 Dept. of Chemistry
 University of New Orleans
 in%"mcccm (- at -) jazz.ucc.uno.edu"