[molpro-user] CASPT2

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


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
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