From chemistry-request@ccl.net Fri Aug 14 10:09:47 1992
From: schuetz@iacrs2.unibe.ch (Martin Schuetz)
Subject: Re: dipole moments
To: CHEMISTRY@ccl.net
Date: Fri, 14 Aug 92 13:07:29 NFT
Status: R

> 
> Hi, experts:
> 
> 	When I did some ab initio CISD calculations of the potential 
> energy surfaces of some triatomic molecules by Gaussian88, I found that 
> the energies are done by CISD but the dipole moments at the geometries
> are only calculated at the SCF level. I could not find a suitable 
> command on the Gaussian menu to calculate the dipole moments at the 
> CISD level. Does anybody know how to do it? 
> 

setting 
Density=Current
should do the job

-- 
Martin Schuetz                              Phone: +41 31 65 42 40
Institute for Physical Chemistry            FAX:   +41 31 65 44 99
University of Berne
Switzerland                                 schuetz@iacrs2.unibe.ch

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