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| Parameter | Value |
|---|---|
| E HOMO (eV) | −5.212 |
| E LUMO (eV) | −2.047 |
| E HOMO − E LUMO energy gap (eV) | 3.165 |
| E HOMO−1 (eV) | −5.851 |
| E LUMO+1 (eV) | −2.248 |
| E HOMO−1 − E LUMO+1 energy gap (eV) | 3.603 |
| Ionization potential I (eV) | 5.212 |
| Electron affinity (A) | 2.047 |
| Electrophilicity Index (ω) | 4.163 |
| Chemical Potential (μ) | 3.629 |
| Electro negativity (χ) | −3.630 |
| Hardness (η) | 1.583 |
| Softness (σ) | 0.316 |
