Compound | Total Energy (Kcal/mol) | Binding Energy (Kcal/mol) | Electronic Energy (Kcal/mol) | Hydration Energy (Kcal/mol) | Heat of Formation (Kcal/mol) | HOMO (eV) | LUMO (eV) |
L1 | −49870.05 | −1465.47 | −236244.78 | −6.61 | 472.77 | −10.2561 | −2.2363 |