TABLE VI.

Optimized oxygen–oxygen and hydrogen bond distances (Å) for the water trimer shown in Figure 3.

	ωB97xD†	ωB97xD†/AMOEBA	AMOEBA	ωB97xD†/TIP3P	TIP3P
O–O	2.78	2.81	2.80	2.82	2.74
H–O	1.91	1.96	1.91	1.97	1.81
O–O*	2.77	2.88	2.79	2.76	2.74
H–O*	1.88	1.98	1.89	1.85	1.81
O*–O	2.77	2.87	2.79	2.64	2.74
H*–O	1.88	1.99	1.89	1.70	1.81

^†6-311++G(d,p)

^*MM atom in Figure 3