Subject: Summary: MO contour correction!

From: "Dale A. Braden" <[email-masked]>
Date: Tue, 6 Jul 1999 12:11:42 -0700 (PDT)

Dear CCL,

I made a mistake in saying that, with appropriate keywords, Gaussian will
generate a logfile suitable for use by Gopenmol to produce MO contour
plots.  It is Molden that can use such output.  My apologies!

I've also looked into writing a little unix script to take a slice from a
Gaussian cube file and formatting the resulting data for gnuplot.  This
shouldn't be too difficult, but it occurred to me that the molecular
geometry won't be visible with the contours.

Dale Braden
Department of Chemistry
University of Oregon
Eugene, OR 97403-1253
[email-masked]