Molecular Orbital Constants for Fulvene (C6H6)
MO B (eV) U (eV) N Q DblIon Special Remarks
1a1 306.22 435.99 2 1 Yes none none
2a1 306.07 436.11 2 1 Yes none none
3a1 305.76 435.88 2 1 Yes none none
1b2 305.74 436.11 2 1 Yes none none
2b2 305.59 436.08 2 1 Yes none none
4a1 305.59 436.09 2 1 Yes none none
5a1 31.67 38.87 2 1 Yes none none
6a1 27.97 41.44 2 1 Yes none none
3b2 26.42 42.7 2 1 Yes none none
7a1 18.21 39 2 1 No none none
4b2 17.95 34.27 2 1 No none none
8a1 17.51 33.99 2 1 No none none
9a1 16.76 30.25 2 1 No none none
5b2 14.99 28.67 2 1 No none none
6b2 13.82 34.76 2 1 No none none
10a1 13.44 41.07 2 1 No none none
11a1 12.66 35.97 2 1 No none none
1b1 12.57 23.77 2 1 No none none
7b2 12 36.33 2 1 No none none
2b1 9.4 27.74 2 1 No none none
1a2 8.59 29.67 2 1 No none none