| α-Cl | β-Cl | γ-Cl | δ-Cl | ε-Cl |
HOMO | −5.278 | −5.406 | −5.293 | −5.162 | −5.178 |
LUMO | −3.297 | −3.011 | −3.098 | −3.243 | −3.244 |
ΔE | 1.981 | 2.395 | 2.195 | 1.919 | 1.934 |
µ | −4.288 | −4.209 | −4.196 | −4.203 | −4.211 |
η | 0.990 | 1.198 | 1.098 | 0.960 | 0.967 |