| Property | 2-phenyl-2-imidazoline |
| Total energy (eV) | −12401.75816 |
| EHOMO (eV) | −5.82160670 |
| ELUMO (eV) | −0.78749789 |
| EHOMO-ELUMO (eV) | 5.03410881 |
| Electronagativity (χ) eV | 3.304552295 |
| Chemical hardness (η) eV | −2.517054405 |
| Electrofilicity index (ω) eV | −2.1692153035 |
| Global Softness (σ)eV | −0.3972897836 |
| Total energy change (ΔET) eV | 0.62926360125 |
| Dipole moment (D) | 5.70065 |