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 |