Molecular Orbital Constants for Vinylacetylene (C4H4)

MO	B (eV)	U (eV)	N	Q	DblIon	Special	Remarks
1a'	306.59	436.06	2	1	Yes	none	none
2a'	306.2	436.16	2	1	Yes	none	none
3a'	305.98	435.86	2	1	Yes	none	none
4a'	305.73	436.23	2	1	Yes	none	none
5a'	29.76	42.66	2	1	Yes	none	none
6a'	27.41	46.97	2	1	Yes	none	none
7a'	23.01	38.87	2	1	No	none	none
8a'	17.79	32.83	2	1	No	none	B from OVGF
9a'	16.54	30.84	2	1	No	none	B from OVGF
10a'	15.32	35.72	2	1	No	none	B from OVGF
11a'	13.53	31.07	2	1	No	none	B from OVGF
1a"	11.99	26.34	2	1	No	none	B from OVGF
12a'	10.47	29.97	2	1	No	none	B from OVGF
2a"	9.63	29.11	2	1	No	none	B from CCSD(T)