Re: dipole moments
>
> 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[ AT ]iacrs2.unibe.ch
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