Dear all,
I’m currently looking to do a state-averaged CASSCF across the three different symmetry states of atomic oxygen.
In MOLPRO I’d use MCSCF across symmetries 4, 6, and 7. Is it possible to do this in Psi4? As I’m trying to obtain the state-averaged AO coefficients of those three symmetries.
Does anyone have any idea as to how I will go about this?
Thanks in advance!