From chemistry-request@server.ccl.net  Fri Jun 18 11:44:41 1999
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Date: Fri, 18 Jun 1999 11:36:07 -0400
To: CHEMISTRY@ccl.net
From: "Samuel A. Abrash" <sabrash@richmond.edu>
Subject: CCl:  G98 - Failure in initial guess


<jkl>Edited by CCL Cyber dog, jkl -- longer attachment placed on the Web as:
http://www.ccl.net/cca/archived-messages/1999/06/18-appendix1.txt
</jkl>

Dear CCl,

   We're setting up Gaussian 98 on a SGI R4400 machine.  We ran the attached
job, but ran into the problem that the initial guess for all MO's was zero.
Can you help pinpoint what the problem with our setup is?  The job runs ok
(except for crashing when it fills up all available space on small (2Gbyte)
hard drives when I run it on other machines.
	I'm sending the logfile for the job as an attachment.

<jkl> The attachment is:
    http://www.ccl.net/cca/archived-messages/1999/06/18-appendix1.txt
</jkl>

Thanks for your assistance.

Sam Abrash

P.S. We're aware that help@gaussian.com is another option for this
information, and have e-mailed them as well.

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Sam Abrash
Associate Professor
Department of Chemistry
University of Richmond
Richmond, VA 23173
Phone: (804) 289-8248
Fax: (804) 287-1897
E-mail:  sabrash@richmond.edu

"The time it takes to complete a scientific project is given by the
equation t = 2a + b where a is the original estimate, 2 is a correction
factor, and b is a number large compared to 2a."