| S.No. | Salen | Energy (Hartree) | Dipole moment | Electron Affinity | Ionization Potential | Hardness | Electronegativity |
| 1. | SA | −707.3695 | 1.7675 | 802.9496 | 798.4321 | −2.2586 | 800.6909 |
| 2. | AA | −746.6926 | 2.8269 | 1273.5922 | 1269.0747 | −2.2586 | 1271.3335 |
| 3. | VA | −821.6521 | 3.1964 | 235.31669 | 235.3167 | 0.05 x e−3 | 235.3167 |
| 4. | NA | −861.0521 | 4.8823 | 1038.2778 | 1033.7603 | −2.2588 | 1036.0191 |