A | B | C | D | |
EHOMO (a.u.) | −0.205 | −0.210 | −0.215 | −0.212 |
ELUMO (a.u.) | −0.064 | −0.072 | −0.074 | −0.073 |
η (a.u.) | 0.0705 | 0.0690 | 0.0705 | 0.0695 |
μ (a.u.) | 0.1345 | 0.141 | 0.1445 | 0.1425 |
ω (a.u.) | 0.1283 | 0.1441 | 0.1481 | 0.1461 |