Subject: Gamess non-analytic frequencies

From: "Shobe, Dave" <[email-masked]>
Date: Mon, 26 Nov 2001 11:23:01 -0500

The following is about Gamess US (Windows version):

When analytical gradients are not available for a given method, in Gamess
one uses Trudge for geometry optimization.  (It's not too too bad with only
one geometric parameter).  But once the minimum is found, how does one
calculate the frequency and zero-point energy?  In other words, what is the
Gamess equivalent of (Gaussian's) freq=numer?

--David Shobe
Süd-Chemie Inc.
phone (502) 634-7409
fax     (502) 634-7724
email  [email-masked]

Don't bother flaming me: I'm behind a firewall.