Models | Equilibrium Distances (Å) | Interaction Energies (kcal/mol) | |
Gas Phase | Aqueous Phase | ||
1 | 1.8 | −11.1783 | −10.9398 |
2 | 2.0 | −8.3149 | −8.1831 |
3 | 2.0 | −8.4201 | −7.9944 |
4 | 2.4 | −7.7345 | −7.3569 |