From SBOESCH /at\aardvark.ucs.uoknor.edu  Wed Jan 26 23:44:44 1994
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	by www.ccl.net (8.6.4/930601.1506) id XAA24764; Wed, 26 Jan 1994 23:01:58 -0500
From: <SBOESCH |-at-| aardvark.ucs.uoknor.edu>
Message-Id: <199401270401.XAA24764 ^%at%^ www.ccl.net>
Date: Wed, 26 Jan 94 22:02 CST
Subject: How do you change g92 hessian into one that gamess will read?
To: chemistry #at# ccl.net
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	Dear Netters:
	
	We are having trouble getting the hessian matrix into gamess
	format from gaussian 92.
	In the frequency calculation we are running in G92, we
	specify the keyword PUNCH=GAMESS,DERIV.
	According to the manual DERIV will give us the energy and
	first and second derivatives.
	The second derivative (the hessian) is what I am really 
	interested in.  The problem is we cannot understand the
	output in the fort.7 file.
	What we need to do is to take the hessian from this
	gaussian 92 calculation and transform it into gamess format
	and put it in a gamess input file to do another calculation.
	
	If anyone has any suggestions on how to do this, please
	tell us.

	Thank you.

	Scott Boesch    sboesch*- at -*aardvark.ucs.uoknor.edu