. Author manuscript; available in PMC: 2013 May 8.

Published in final edited form as: J Chem Theory Comput. 2012 Apr 13;8(5):1721–1736. doi: 10.1021/ct300035u

Table 2.

Shown is the lattice energy for acetamide using the AMOEBA potential in comparison to ab initio results with and without ZPE correction. Energy values correspond to structural minima of their respective potentials.

Potential	E_lattice	E_lattice with ZPE
AMOEBA	−20.78
B3LYP/6-31G*	−20.54	−18.28
B3LYP/6-311G**	−20.06	−17.84