Molecular Orbital Constants for Allene (C3H4)

MO	B (eV)	U (eV)	N	Q	DblIon	Special	Remarks
1a<sub>1</sub>	306.53	436.08	2	1	Yes	none	none
1b<sub>2</sub>	305.88	436.06	2	1	Yes	none	none
2a<sub>1</sub>	305.88	436.13	2	1	Yes	none	none
3a<sub>1</sub>	29.27	43.81	2	1	Yes	none	none
2b<sub>2</sub>	26.11	41.25	2	1	Yes	none	none
4a<sub>1</sub>	17.64	35.54	2	1	No	none	B from OVGF
3b<sub>2</sub>	15.47	37.09	2	1	No	none	B from OVGF
1e	15.10	26.10	4	1	No	none	B from OVGF
2e	10.22	28.21	4	1	No	none	B from CCSD(T)