[molpro-user] about Uranium molecules

Eduardo Solis Céspedes esolisrq at gmail.com
Thu Aug 10 19:12:19 CEST 2017


I'm new in molpro.
All the test that I try fail with my molecule.
I'm try with  [UF6]- (uranium V) an scf, casscf, caspt2, mrci and nothing
is working for me.
Any suggestions or help, please?
Best Regards to all
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