[molpro-user] Analytical Hessian for SA-CASSCF

SCAr Chung s4c6ar at gmail.com
Wed Nov 21 08:08:52 GMT 2012

Dear all,

  I can successfully run analytical Hessian for CASSCF (S0 only), but I
can't manage to run analytical Hessian for SA-CASSCF. I use Molpro2012. Is
analytical Hessian available for SA-CASSCF? Thanks for any comments.

Best Wishes,

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20121121/5caef89f/attachment.html>

More information about the Molpro-user mailing list