| Models | Free Energy Change (ΔGº) (kcal/mol) | Enthalpy Change (ΔHº) (kcal/mol) | ||
| Gas Phase | Aqueous Phase | Gas Phase | Aqueous Phase | |
| 1 | −138.6503 | −136.9747 | −146.3193 | −75.6230 |
| 2 | −136.5839 | −133.3576 | −143.5735 | −74.6257 |
| 3 | −135.9528 | −134.7559 | −143.6274 | −74.1871 |
| 4 | −137.7074 | −135.9152 | −143.8150 | −74.6155 |