Description détaillée
Spectre (5 états par symétrie) b3-lyp/def2-SV(P)
| Exc. | energy (Eh) | energy (eV) | energy (cm-1) | energy (nm) | Osc.(vel) | Osc.(len) |
| 1a | 0.061234 | 1.66627 | 13439.335 | 744.084 | 0.3718609 | 0.3786303 |
| 2a | 0.062494 | 1.70055 | 13715.852 | 729.083 | 0.05791358 | 0.05888737 |
| 3a | 0.070904 | 1.92939 | 15561.617 | 642.607 | 0.00006147 | 0.00008184 |
| 4a | 0.076558 | 2.08326 | 16802.608 | 595.146 | 0.07632481 | 0.07702211 |
| 5a | 0.077818 | 2.11753 | 17079.022 | 585.514 | 0.143446 | 0.1447855 |
| 1b | 0.02019 | 0.5494 | 4431.249 | 2256.7 | 0.00674984 | 0.00354968 |
| 2b | 0.033496 | 0.91147 | 7351.53 | 1360.261 | 0.01441992 | 0.00956773 |
| 3b | 0.039055 | 1.06274 | 8571.562 | 1166.649 | 0.00651264 | 0.00550232 |
| 4b | 0.049124 | 1.33672 | 10781.375 | 927.525 | 0.03255746 | 0.02195202 |
| 5b | 0.053649 | 1.45987 | 11774.623 | 849.284 | 0.05008043 | 0.03828492 |