Descriptor | Value | Descriptor | Value |
EHOMO (eV) | –5.8680 | I (eV) | 5.8680 |
ELUMO (eV) | –2.0510 | A (eV) | 2.0510 |
ΔE (eV) | 3.8170 | μ (Debye) | 5.9293 |
ΔN | 0.0840 | η (eV) | 1.9085 |
S (eV−1) | 0.5240 | ω | 4.1073 |
χ (eV) | 3.9595 | TE (a.u) | −2215.3776 |