What exactly are the CCMAN2 Alpha orbitals printed in the .fchk file when you run a CC calculation? Why are they different from canonical orbitals, even when I use canonical orbitals for the CC procedure?
What exactly are the CCMAN2 Alpha orbitals printed in the .fchk file when you run a CC calculation? Why are they different from canonical orbitals, even when I use canonical orbitals for the CC procedure?