Gaussian or Gamess orbitals -> Molpro

Olga Dmitrenko odmitr at UDel.Edu
Sat Mar 2 19:24:50 GMT 2002

Dear Molpro Users,

I have optimized quite complicated transition structure by CASSCF(12
electrons and
12 orbitals) using Gaussian98 and Gamess program packages. Thus, I have
and knowledge on the active space needed. Now I need to do CASPT2 on this
transition structure and, naturally, I do want to do this in the easiest

*Does anyone know, if there is a possibility to convert check-point file
from Gaussian
or Gamess optimized MOs to Molpro file in order to be able to read it for

*What is the easiest way to visualize orbitals that are used in Molpro

I would highly appreciate any advice/comment. Thanks,

Dr. Olga Dmitrenko
Department of Chemistry and Biochemistry
University of Delaware, Newark
Delaware 19716, USA
odmitr at

More information about the Molpro-user mailing list