[molpro-user] About identify orbitals

Eduardo Solis Céspedes esolisrq at gmail.com
Fri Sep 1 16:30:46 CEST 2017

Exist a way or method in a non-symmetric calculation to identify the px, py and pz orbitals of the ligands?
The idea is to be able to include them in the active space.
Best Regards,

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