I have been learning some basics of molpro and quantum chemistry, however I am deeply confused now. As a very simple example, I want to compute the energy of a carbon atom using D2h group For its ground state, if I give this input: occ,2,1,1,0,0,0,0,0 closed,1,0,0,0,0,0,0,0 wf,6,4,2 The reason ...