Subject: model chemistries w/o optimization

From: "Shobe, Dave" <[email-masked]>
Date: Mon, 21 Aug 2000 13:08:31 -0400

Normally, model chemistries such as G2 and CBS-4 include an optimization
step, and normally, this is desired.

But is there a way to do the energy evaluations only?  I'd like to calculate
a vertical ionization energy for something I've calculated at the CBS-4
level.

--David Shobe