Subject: CCL: Another Gaussian question about spin

From: Connie Chang <cc236(at)ccmr.cornell.edu>
Date: Thu, 17 Jun 2004 15:59:45 -0400 (EDT)

Hi --

I was wondering if 1) Gaussian can calculate the exchange energy and 2) if
there's a way to specify which spin electron you want to add?  Also, 3) is
there a way to apply a magnetic field to a molecule?

As far as I know, if you want to add a charge onto a molecule, you just
write before the molecule specification:
-1 2

where the -1 is the charge and the 2 is the multiplicity.

Thanks in advance...

Connie