No

Wavelength (nm)

Osc Strength

Major Contributions

1

398.9423

0.0576

HOMO- > LUMO (89%)

2

359.5912

0.4328

HOMO- > L + 1 (90%)

3

342.0037

0.0077

H − 1- > LUMO (81%) H − 1- > L + 1 (12%)

4

329.2422

0.0087

H − 1- > LUMO (13%) H − 1- > L + 1 (80%)

5

312.3439

0.0003

HOMO- > L + 2 (96%)

6

306.199

0.035

H − 3- > LUMO (42%) H − 2- > L + 1 (46%)

7

288.6481

0.3546

H − 2- > LUMO (61%) H − 2- > L + 1 (20%)

8

284.4441

0.0698

H-3- > L + 1 (85%)

9

281.9939

0.2539

H − 3- > LUMO (51%) H − 2- > LUMO (16%) H − 2- > L + 1 (23%)

10

275.4771

0.0002

HOMO- > L + 4 (96%)

11

271.5819

0.0002

H − 4- > LUMO (17%) H − 4- > L + 1 (75%)

12

268.1518

0.064

H − 1- > L + 2 (15%) HOMO- > L + 3 (75%)

13

265.8529

0.007

H − 4- > LUMO (70%) H − 4- > L + 1 (15%)

14

263.4457

0.1227

H − 1- > L + 2 (66%) HOMO- > L + 3 (15%)

15

261.7863

0.0019

HOMO- > L + 5 (94%)

16

161.2372

0.0014

H − 3- > L + 2 (47%) H − 2- > L + 2 (43%)

17

155.4825

0.0315

H − 3- > L + 2 (39%) H − 2- > L + 2 (52%)

18

153.921

0.0109

H − 5- > LUMO (67%) H − 5- > L + 1 (20%)

19

152.3961

0.0098

H − 5- > LUMO (14%) H − 5- > L + 1 (68%)

20

152.1361

0.0193

H − 7- > LUMO (13%) H − 6- > LUMO (67%)