Main Question or Discussion Point
I am performing ab initio calculations on a heteronuclear diatomic compound using the MRCI method on the MOLPRO quantum chemistry package. I obtained the molecular states of the compound but I was wondering how to find the molecular orbital configuration of each electronic state in addition to their associated compositions. I tried to include the "print, orbitals" before and after the CI, but I didn't get anything! Your help and support are much appreciated...