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?
Thanks in advance.
Feng
--
| Feng Wang Department of Chemistry, The University of Newcastle |
| Callagan, N.S.W. 2308, Australia |
| Internet: chfw -x- at -x- cc.newcastle.edu.au Tel: +61 49 21 5475
|
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