************************** *** HOMO - LUMO GAPS *** ************************** [eV] No.Electron *** LUMO+1 3 a2u 12.69845 0.0 *** LUMO 2 eu 11.89398 0.0 *** HOMO 1 eg -5.70784 4.0 *** HOMO-1 3 a1g -5.92846 2.0 *** HOMO-2 1 eu -8.13912 4.0 *** f r o m *** ==> *** t o *** [eV] [cm-1] [nm] 1 eg ==> 2 eu 17.602 141968.3 70.4 1 eg ==> 3 a2u 18.406 148456.8 67.4 3 a1g ==> 2 eu 17.822 143747.7 69.6 3 a1g ==> 3 a2u 18.627 150236.2 66.6 1 eu ==> 2 eu 20.033 161577.9 61.9 1 eu ==> 3 a2u 20.838 168066.4 59.5