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| E HOMO (eV) | −0.222 | Hardness (η) | 0.071 |
| E LUMO (eV) | −0.080 | Softness (S) | 7.040 |
| ΔEgap (eV) | 0.1419 | Polarizability (α) (a.u.) | 240.156 |
| Optimization energy (eV) | −2195.498 | Dipole moment (D) | 4.176 |
