OMEGAMO

[<LSTEFFEN |-at-| fair1.fairfield.edu>]

 Help!  I am trying to validate the use of the Modified Hueckel MO program known
 as "OMEGAMO" for heteroatom (Br, Cl, C=O, NO2) substituted PAH.  I
 cannot find
  a good reference for the input file structure.  From the meager documentation
 I have available it is unclear how to input the "h" and "k"
 values (or their
 equivelents in terms of Hueckel a, and  B's)  If you have an old dusty file for
 chlorobenzene or the like I would greatly appreciate a copy.
 	A related, hopefully naive question:  Is there an extended Hueckel
 program which includes Streitweiser style omega corrections available and does
 anyone know if it has been used for hetero substituted aromatics?  (I am most
 interested in X-Ph as versus pyrole, pyridine like systems)
 Heavy response will be condensed and sent back to the CCL
 L. Kraig Steffen
 Assistant Professor of Chemistry
 Fairfield University
 fairfield CT  06430
 lsteffen |-at-| fair1.fairfield.edu
 lsteffen |-at-| aol.com
 (203) 254-4000 ext 2254