Subject: Gaussian 03 PES results

From: "Jim Pfaendtner" <pfaendtner*at*northwestern.edu>
Date: Thu, 24 Jun 2004 10:05:43 -0500

Hi all,
 
I have performed a potential energy scan over two coordinates with
geometry optimization at each point.  From what I could gather from the
G03 manual and trying to get the simulations running, the way to do this
is like this:

# ... opt(addredundant,..) ..
 
<geometry>
 
X Y <start> S <#steps <stepsize>
W Z <start> S <#steps <stepsize>

Where X,Y,W,Z are my coordinates of interest.

The calculation ran and completed geometry optimization at each step.
But I don't get a nice table like the Gaussian manual says I should by
using the scan keyword.  I don't want to just use the scan keyword,
because I want geometry optimization at each step.
 
Is there a way to get my results out of my log file? I know they are in
there, but I have done post-processing w/Excel and it's not that fun and
prone to errors.

Thanks!