[molpro-user] No symm calculation and State Average Orbitals in Molpro

Ganga Periyasamy Ganga.Periyasamy at ulg.ac.be
Thu Sep 10 08:07:56 BST 2009


>
> Dear Sir,
>
>
 I am trying to calculate excite states for Linear Molecule using Multi
keyword in molpro 2008.1. I am interested in transition dipolemoment.

And i would like to have the state average orbitals (not a natural orbitals)
for all the states. i understood that Molpro will give state average natural
orbitals for particular state.

Is it possible to get the state average CSF orbitals as in Gaussian.
Is it possible to run nosym computations for linear molecule in molpro.

I will be grateful for any of your help?

Thank you
Ganga
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