Natural orbitals of parent carbonyl oxide
calculated at MP2/aug-cc-PVDZ level.

Used software (calculation/visualization): MOLPRO and MOLDEN


Molecular orbitals of parent carbonyl oxide
calculated at RHF/6-31G* level.

Used software (calculation/visualization): Gaussian 98 and WinMopac

MO # 4, E=-42.3837 MO # 5, E=-32.4127 MO # 6, E=-24.8933
MO # 7, E=-20.7593 MO # 8, E=-19.3538 MO # 9, E=-18.0028
MO # 10, E=-15.7207 MO # 11, E=-11.1448 MO # 12, E=-10.2300

Molecular orbitals of parent carbonyl oxide
calculated at MINDO/3 level.

Used software (calculation/visualization): ViewMol3D 4.33.6

MO # 1 MO # 2 MO # 3
MO # 4 MO # 5 MO # 6
MO # 7 MO # 8 MO # 9
MO #10 MO #11 MO #12
MO #13 MO #14