Molecular Orbital Constants for Isobutene (C4H8)

MO	B (eV)	U (eV)	N	Q	DblIon	Special	Remarks
1a<sub>1</sub>	305.91	436.16	2	1	Yes	none	none
1b<sub>2</sub>	305.39	436.12	2	1	Yes	none	none
2a<sub>1</sub>	305.39	436.14	2	1	Yes	none	none
3a<sub>1</sub>	305.09	436.13	2	1	Yes	none	none
4a<sub>1</sub>	29.62	38.1	2	1	Yes	none	none
2b<sub>2</sub>	22.76	35.04	2	1	No	none	B from OVGF
5a<sub>1</sub>	25.21	37.71	2	1	Yes	none	none
6a<sub>1</sub>	17.68	34.93	2	1	No	none	B from OVGF
3b<sub>2</sub>	15.36	26.62	2	1	No	none	B from OVGF
7a<sub>1</sub>	15.22	28.96	2	1	No	none	B from OVGF
1b<sub>1</sub>	15	23.88	2	1	No	none	B from OVGF
1a<sub>2</sub>	13.71	26.96	2	1	No	none	B from OVGF
4b<sub>2</sub>	13.27	28.77	2	1	No	none	B from OVGF
8a<sub>1</sub>	12.9	33.96	2	1	No	none	B from OVGF
5b<sub>2</sub>	11.89	34.6	2	1	No	none	B from OVGF
2b<sub>1</sub>	9.5	27.88	2	1	No	none	B from est. CCSD(T)