Molecular Orbital Constants for Triacetylene (C6H2)

MO	B (eV)	U (eV)	N	Q	DblIon	Special	Remarks
1greek:sigma<sub>g</sub>	307.14	435.46	2	1	Yes	none	none
1greek:sigma<sub>u</sub>	307.05	436.32	2	1	Yes	none	none
2greek:sigma<sub>g</sub>	306.85	435.66	2	1	Yes	none	none
2greek:sigma<sub>u</sub>	306.84	435.67	2	1	Yes	none	none
3greek:sigma<sub>u</sub>	306.69	436.25	2	1	Yes	none	none
3greek:sigma<sub>g</sub>	306.69	436.25	2	1	Yes	none	none
4greek:sigma<sub>g</sub>	30.43	47.4	2	1	Yes	none	none
4greek:sigma<sub>u</sub>	29.23	48.09	2	1	Yes	none	none
5greek:sigma<sub>g</sub>	27.74	49.92	2	1	Yes	none	none
5greek:sigma<sub>u</sub>	21.3	45.58	2	1	No	none	none
6greek:sigma<sub>g</sub>	19.36	44.32	2	1	No	none	none
6greek:sigma<sub>u</sub>	17.65	35.03	2	1	No	none	none
7greek:sigma<sub>g</sub>	17.35	37.02	2	1	No	none	none
1greek:pi<sub>u</sub>	12.94	27.66	4	1	No	none	none
1greek:pi<sub>g</sub>	11.42	28.91	4	1	No	none	none
2greek:pi<sub>u</sub>	9.55	31.73	4	1	No	none	none