We have analyzed a previously proposed [J. Phys. Chem. B 1997, 101, 798] Buckingham repulsion-dispersion intermolecular potential originally developed for the nitramine explosive RDX using ab initio crystal prediction methods. A total of 174 crystals whose molecules contain functional groups common to CHNO energetic materials were subjected to this methodology. This database includes acyclic and cyclic nitramines, nitrate esters, nitroaromatics, and nitroaliphatic systems. The results of these investigations have shown that for 148 of the 174 systems studied the predicted crystal structures matched the experimental configurations; 75% of these corresponded to the global energy minimum on the potential energy surface. Root-mean-square percent differences between the predicted and the experimental values for the cell edge lengths and densities are about 2 and 4%, respectively. Root-mean-square deviations of rigid body rotational and translational displacements are 2degrees and 0.07 Angstrom, respectively. Additionally, these same statistics are applicable to the nitramine, nitroaliphatic, nitroaromatic, and nitrate ester classes, suggesting that this interaction potential is transferable across these classes of compounds. The success rate in predicting crystals with structural parameters and space group symmetries in agreement with experiment indicates that this method and interaction potential are suitable for use in crystal predictions of similar CHNO systems when the molecular configuration is known.