************************* *** HOMO - LUMO GAP *** ************************* [eV] No.Electron *** LUMO 1 e2u 3.31983 0.0 *** HOMO 1 e1g -2.58860 4.0 *** f r o m *** ==> *** t o *** [eV] [cm-1] [nm] 1 e1g ==> 1 e2u 5.908 47654.7 209.8