From chemistry-request@server.ccl.net Sun Dec 15 00:52:59 2002
Received: from cornell.edu ([132.236.56.6])
	by server.ccl.net (8.11.6/8.11.0) with ESMTP id gBF5qxi14882
	for <chemistry@ccl.net>; Sun, 15 Dec 2002 00:52:59 -0500
Received: from auto0.summerhill (syr-24-58-0-128.twcny.rr.com [24.58.0.128])
	by cornell.edu (8.9.3/8.9.3) with ESMTP id AAA19189
	for <chemistry@ccl.net>; Sun, 15 Dec 2002 00:52:52 -0500 (EST)
Subject: Molden visualization & Gaussian98
From: Connie Chang <cc236@cornell.edu>
To: chemistry@ccl.net
Content-Type: text/plain
Content-Transfer-Encoding: 7bit
X-Mailer: Ximian Evolution 1.0.8 (1.0.8-10) 
Date: 15 Dec 2002 00:48:12 -0500
Message-Id: <1039931294.3310.6.camel@auto0.summerhill>
Mime-Version: 1.0

Hi all --

I have a question concerning Molden visualization of orbitals/electron
density and Gaussian98W.  I know that for Molden to be able to read
Gaussian output files, you need to include the keywords gfinput and
IOP(something...).  I was wondering however, if it's possible for me to
change the Gaussian output file to get Molden to plot orbital/electron
population information for a particular wavefunction I have.

Could I mimic Gaussian98 output in such a way as to get Molden to plot
the orbital info for me?  I have coefficients for my proposed
wavefunction.

I hope my question is clear.  I'm not quite sure how to describe what I
am trying to do.  

Thanks for your help.
Connie




