From owner-chemistry@ccl.net  Tue Jul 25 11:24:41 1995
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From: Nathaniel (noj) Malcolm <mbdtsnm@hpf.ch.man.ac.uk>
Message-Id: <10919.9507251509@hpf.ch.man.ac.uk>
Subject: Simple Frequency Analysis
To: chemistry@ccl.net
Date: Tue, 25 Jul 95 16:09:29 BST
Mailer: Elm [revision: 70.85]


 I am looking for code that will calculate
the  symmetric and asymmetric vibrational stretching
frequencies (the bending frequencies would be a bonus)
of a simple (linear symmetric) triatomic system, given only the energies at 
a few geometries. I don't want to have to resort to 
doing this in cartesians because my energy calculations
take too long, so running the 30 or so points that would
be required is beyond my scope. 

	If any-one has anything suitable,that they are prepared
to let me use, or knows of  where i can find such a beast, i would be
very gratefull.
	Noj Malcolm
	Noj.Malcolm@man.ac.uk