HOMO is 35 No. Energy (eV) Wavelength (nm) Osc. Strength Symmetry Major contribs Minor contribs 1 43030.78256 232.391776423 0.1695 Singlet-BU H-1->LUMO (48%), HOMO->LUMO (-27%), HOMO->L+1 (42%) H-3->L+1 (-5%), H-3->L+3 (-2%), H-2->L+2 (3%), H-1->L+1 (4%), H-1->L+3 (3%) 2 43350.18032 230.679547955 0.6789 Singlet-BU H-1->LUMO (26%), HOMO->LUMO (55%), HOMO->L+1 (18%) H-20->L+9 (-2%), H-14->L+8 (-2%), H-12->L+9 (-2%), H-12->L+23 (-2%), H-9->L+14 (-2%), H-9->L+21 (-2%), H-8->L+10 (2%), H-7->L+4 (3%), H-6->L+15 (-2%), H-5->L+6 (2%), H-5->L+16 (2%), H-4->L+6 (2%), H-4->L+7 (-2%), H-4->L+16 (2%), H-4->L+19 (-2%), H-3->L+1 (-3%), H-3->L+3 (4%), H-2->L+2 (-6%), H-1->L+1 (-7%) 3 50129.31712 199.484065902 0.0 Singlet-AG H-2->LUMO (56%), HOMO->L+2 (-44%) H-3->L+2 (3%), H-2->L+3 (5%) 4 54628.3088 183.055273349 0.1793 Singlet-BU H-3->L+1 (18%), H-1->LUMO (-37%), H-1->L+3 (15%), HOMO->L+1 (48%) H-18->L+10 (-2%), H-16->L+6 (2%), H-13->L+17 (-2%), H-12->L+12 (-2%), H-12->L+15 (-2%), H-10->L+15 (-3%), H-9->L+12 (3%), H-9->L+14 (-2%), H-9->L+15 (2%), H-6->L+17 (2%), H-5->L+6 (3%), H-5->L+7 (-2%), H-5->L+13 (-2%), H-5->L+16 (2%), H-5->L+18 (2%), H-4->L+10 (-2%), H-4->L+11 (-2%), H-4->L+18 (2%), H-4->L+19 (2%), H-4->L+24 (2%), H-2->L+2 (-2%), H-1->L+1 (-2%), HOMO->LUMO (2%) 5 59784.64688 167.267024594 0.0 Singlet-AG H-2->LUMO (-13%), H-2->L+1 (56%), H-1->L+2 (34%), HOMO->L+2 (-18%) H-3->L+2 (5%), H-2->L+3 (-4%), H-1->L+4 (2%)