Re: Gaussian 94 job
- From: Guido Germano <g.germano "-at-" bristol.ac.uk>
- Organization: Physics Department University of Bristol
- Subject: Re: Gaussian 94 job
- Date: Mon, 14 Sep 1998 13:47:32 -0400 (EDT)
Hi Sandra,
not all neutral molecules a spin multiplicity of 1. Try to work out the
possible multiplicities of your particular molecule and chose the one
you prefer. Otherwise, simply go on by trial and error, starting with 3.
Regards
Dr. Guido Germano
Research Assistant, University of Bristol, England
Tel. +44-117-928 9000 ext. 8755, http://www.phy.bris.ac.uk/staff/germano_g.html