Table 1.

Solvation free energy (kcal/mol) and its decomposition.

Compound	$\Delta G_{\mathrm{p}}^v$	ΔGp	ΔΔGp	ΔGQM	ABS(ΔGQM/ΔΔGp)	ΔGtotal	Exptl74
Water	−6.25	−7.55	−1.30	0.86	0.66	−6.31	−6.30
Methanol	−5.18	−6.18	−1.00	0.63	0.63	−4.98	−5.11
NH3	−3.86	−5.12	−1.26	0.87	0.69	−3.79	−4.29