Models | Equilibrium Distances (Å) | Interaction Energies (kcal/mol) | |
Gas Phase | Aqueous Phase | ||
1 | 1.8 | −8.1873 | −6.5889 |
2 | 2.0 | −5.8227 | −3.6419 |
3 | 2.0 | −5.5271 | −3.9699 |
4 | 2.4 | −4.9716 | −3.2049 |