Subject: Gaussians for electron density curves

From: David Wild <[email-masked]>
Date: Thu, 23 Nov 1995 10:21:13 +0000

Hi All

As part of the work I'm doing, I need Gaussian expressions to fit to 
the electron density curves (i.e. plot of electron density against 
distance from the atom) for all of the common organic atom types. I 
have expressions for C, N, S, O and H that were apparently taken from 
the STO-3G set of the Gaus88 module of SYBYL, but unfortunately we 
don't have that module in our SYBYL here. 

If anyone has access to the STO-3G basis set, and would be willing to let 
me know the Gaussians for other common organic atoms (Cl, Br, Fl, I, P are 
the ones that spring to mind), I would be most grateful.

Many thanks

David Wild

-------------------------------------------------
Dr David Wild, Department of Information Studies,
University of Sheffield, Sheffield S10 2TN, U.K.

Tel +44-(0)114 282 5093, Fax +44-(0)114 278 0300
Email [email-masked] 
http://www.shef.ac.uk/uni/academic/I-M/is/rstaff/
davewild.html