CCL:G: Regarding Gaussian
- From: "Dwayne Joseph"
<dwayne_joseph!=!hotmail.com>
- Subject: CCL:G: Regarding Gaussian
- Date: Wed, 03 May 2006 21:23:55 +0000
Sent to CCL by: "Dwayne Joseph" [dwayne_joseph]~[hotmail.com]
Hello,
I am a physics graduate student and i have a question regarding
GAUSSIAN98.
Is it possible to extract the molecular orbitals (coeff) that are
written to
the IOPs when a Potential Energy Surface Scan (PES) is performed? And
if
so, how do i extract them? I have noticed that MO's are written for the
initial structure and for the final structure, but not for the steps in
between. Any help in resolving this matter will be greatly
appreciated.
Thank you
-Dwayne Joseph
<html><DIV><FONT color=#000099>"... I believe
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