Intermolecular interaction energies between a pair of 4′-nitrophenyl, 4-hexyloxybenzoate (nphb) molecules, have been calculated,cndo/2 method has been employed to compute the net atomic charge and atomic dipole components at each atomic centre. A second order perturbation theory with multicentered-multipole approximation has been used to evaluate the energies corresponding to the stacked and in-plane lateral interactions between a pair of the molecules. An attempt has been made to discuss the results in the light of experimental evidences.
