DMACRYS was used with an anisotropic atom-atom force field energy model for all lattice energy minimizations. To test the sensitivity of CSP results to the force field, CSP was performed using two commonly used interatomic potentials (FIT 39 and W99rev 40 ), combined with four combinations of generation methods for the electrostatic model: B3LYP with 6-31G**, 6-311G**, 6-31G** with the polarizable continuum model (PCM ) and 6-311G** with the PCM applied. The PCM is used to mimic the in-crystal environment of a molecule. This provides a efficient, but approximate model of polarization contributions to the overall lattice energy. Distributed Multipole Analysis (DMA) has been used to provide a description of the intermolecular electrostatic interactions. Atomic multipoles, up to hexadecapole, were calculated using the Gaussian Distributed Multipole Analysis (GDMA) program, which analyses the charge density calculated for the gas phase molecular geometry to produce the multipoles. Each EM in the test set was examined with the following combinations of methods for the electrostatic model: HF, 49 MP2, 50 PBE, 51,52 PBE0 53 and B3LYP all with augcc-pVDZ and aug-cc-pVTZ. The aforementioned results with B3LYP and 6-31G** and 6-311G** are also included.