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