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| Compound | SCP1 | SCP2 |
|---|---|---|
| −EHOMO, eV | 4.999 | 6.027 |
| −ELUMO, eV | 3.968 | 4.183 |
| ΔE, eV | 1.031 | 1.844 |
| I P, eV | 4.999 | 6.027 |
| E A, eV | 3.968 | 4.183 |
| χ, eV | 4.4835 | 5.105 |
| η, eV | 0.5155 | 0.922 |
| σ, eV | 1.939864 | 1.084599 |
| ω | 19.49735 | 14.13288 |
| ΔN | 2.440834 | 1.027657 |
| ΔEback-donation | −0.12888 | −0.2305 |
| Dipole moment (Debye) | 12.87 | 18.53 |
