Name

HOMO, a.u

LUMO, a.u

HOMO-LUMO gap, eV

HM-I

−0.263

−0.130

3.624

HM-II

−0.292

−0.143

4.056

HM-III

−0.307

−0.153

4.207

HM-IV

−0.310

−0.154

4.257

HM-V

−0.282

−0.142

3.806

HM-VI

−0.281

−0.142

3.782