| Electronic Parameter/molecule | SA | AA | VA | NA |
| ET [Hartree] | −707.3695 | −746.6926 | −821.6521 | −861.0521 |
| Dipole moment | 1.7675 | 2.8269 | 3.1964 | 4.8823 |
| EHOMO [Hartree] | −0.2070 | −0.2040 | −0.2160 | −0.2040 |
| ELUMO [Hartree] | −0.0590 | −0.0440 | −0.0750 | −0.0790 |
| ∆Egap [eV] | 3.5506 | 4.3538 | 3.8368 | 3.4014 |
| Softness [eV] | 0.2214 | 0.2214 | − | 0.2214 |