[molpro-user] NBO and wf problems

[Ulises Miranda]

Hello, dear MOLPRO users.
I'm trying to do NBO analysis for a specific electronic state of a
transition metal dimer; I specified the wf as indicated in the manual for a
MCSCF calculation. I switched off the symmetry and I got an error about the
occupied orbitals so I deleted the "occ" and "closed" cards from the input
and I got another error:

'state symmetry not possible:4'

Given that NBO analysis does not work with symmetry, is it possible to do
NBO analysis for specific electronic molecular states?

Thank you in advence.

Ulises Miranda
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20090908/43c9e477/attachment.html>