Subject: OMEGAMO

From: <[email-masked]>
Date: Wed, 15 Mar 1995 17:40:00 -0500 (EST)

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
[email-masked]
[email-masked]
(203) 254-4000 ext 2254