{casscf closed,2 !2 inactive orbitals in Symmetry 1 (a1) occ,8,2,3 !7a1, 2b1, 3b2 occupied orbitals wf,16,1,0 !16 electrons, Symmetry 1 (A1), singlet restrict,0,2, 7.1,8.1,2.2,3.3 !max 2 electrons in the given orbital list restrict,-1,0 7.1,8.1,2.2,3.3 !1 electron in given orbital space not !allowed (no singles) restrict,2,4, 3.1,4.1 !at least 2 and max 4 electrons in the !given orbitals restrict,-3,0,3.1,4.1} !3 electrons in given orbital space not !allowed (no singles)