Adiabatic ionization potential (IPa in eV), electron affinities (EAa in eV), absolute hardness (η in eV) and solvation free energy in gas and chlorobenzene (ΔG in kcal mol−1) of the molecules H101, CP1 and CP2.
| IPa | EAa | η | ΔG | |
|---|---|---|---|---|
| H101 | 5.22 | 0.17 | 2.52 | −14.54 |
| CP1 | 5.60 | 0.34 | 2.63 | −11.72 |
| CP2 | 5.61 | 0.28 | 2.67 | −12.95 |