Subject: electronic spectra from CAS excited energies

From: [email-masked] (Mathias Brock)
Date: Mon, 31 Jul 1995 15:17:10 +0200 (DFT)

Dear user of CAS on the net,

after calculating excitation energies (by G92), symmetry and spin
of the electronic states is needed to arrive to simulated
electronic spectra.

In particurlar, G92 gives output of the converged states but in
general symmtry and spin will not bei given.

I suggest some analysis will be required, but have not found
an explizit routine yet.

For any suggestions, even G92 independent, for evaluation of
symmtry and spin data from CSF or SD-type functions,
please reply if possible 

Thank you in advance

Mathias Brock