No.

Exp. Wavelength

Energy (cm−1)

Wavelength (nm)

Osc. Strength

Symmetry

Major contrib.

1

273.00

36,683.15536

272.60

0.0658

Singlet-A

HOMO- > LUMO (92%) H-1- > LUMO (5%)

2

--

41,541.06624

240.72

0.0214

Singlet-A

H-3- > LUMO (86%) H-1- > LUMO (7%), HOMO- > LUMO (−3%)

3

--

49,875.25072

200.50

0.0059

Singlet-A

H-3- > L + 1 (90%) H-2- > L + 1 (−3%), H-1- > L + 1 (6%)

4

--

58,519.15424

170.88

0.0015

Singlet-A

H-5- > LUMO (97%)

5

--

62,270.4648

160.58

0.0074

Singlet-A

HOMO- > L + 4 (83%)H-4- > LUMO (−3%), H-3- > L + 2 (−2%), H-1- > L + 3 (−3%), HOMO- > L + 5 (−2%)

6

--

65,521.70816

152.62

0.0089

Singlet-A

HOMO- > L + 5 (72%)H-4- > LUMO (3%), H-2- > L + 3 (−3%), H-1- > L + 2 (8%), HOMO- > L + 4 (2%)

7

--

67,402.60608

148.36

0.0352

Singlet-A

H-3- > L + 3 (81%) H-1- > L + 4 (−5%)

8

--

68,145.44784

146.74

0.0067

Singlet-A

H-7- > LUMO (82%)H-9- > LUMO (6%), HOMO- > L + 6 (−2%)

9

--

69,112.51328

144.69

0.0245

Singlet-A

H-1- > L + 4 (60%), HOMO- > L + 6 (13%)H-8- > LUMO (2%), H-3- > L + 3 (3%), H-1- > L + 3 (−7%)