[molpro-user] CASPT2

Osvaldo Gutierrez ogutierrez at ucdavis.edu
Mon Feb 6 19:36:39 GMT 2012


Hello,

I was wondering if anybody could guide me to a reference to calculate
single point energy using CASPT2 (wilt MOLPRO) on a Gaussian09 optimized
CASSCF structure.

-- 
Osvaldo Gutierrez
UC Davis Chemistry
310-990-5289
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20120206/2a5e7ec8/attachment.html>


More information about the Molpro-user mailing list