Gaussian Dipole Output
- From: "Phil Hultin"
<hultin..at..cc.umanitoba.ca>
- Subject: Gaussian Dipole Output
- Date: Wed, 14 Jul 2004 17:15:19 -0500
A colleague asked me
why the dipole data in the "archive" portion of a Gaussian output file is not
the same as the dipole data expressed only a few lines above where all the
multipole moments are displayed. I had to admit that I had not observed
this before but on checking all my output files I see that this is indeed the
case.
Can anyone explain
why these entries differ? Is it simply that the "archive" is not expressed
in Debye? If so, what unit is it expressed in?
Dr. Philip G. Hultin
Associate Professor of
Chemistry
University of Manitoba
Winnipeg, MB, Canada R3T 2N2
(vox)
204-474-9814
(fax) 204-474-7608
mailto:hultin..at..cc.umanitoba.ca
http://www.umanitoba.ca/chemistry/