In the present work, an SCME potential function is developed for ACN molecules. Each ACN molecule is treated as a rigid linear molecule. The single electrostatic site is located at the center of mass (COM) of the molecule, while three sites, representing the methyl group, the central carbon atom and the nitrogen atom, are used to describe the repulsive and dispersion interactions. While more elaborate, multi-site polarizable interaction potentials have previously been developed for ACN (see and references therein), the model presented here The article is structured as follows: In section 2 the potential function is described, followed by a discussion of the parameter optimization in section 3. In section 4 we discuss the accuracy of the potential function by comparing calculated results of electronic structure calculations. We also compare to calculations using rigid, three-site point charge force field, often used in simulations of solvent e↵ects. Finally, in section 5, summary of the results and conclusions are presented. In the following we will continue to use the abbreviation 'ACN' when addressing acetonitrile in general, but 'MeCN' to specifically address our (1+3)site parametrization of the molecule, and 'CH 3 CN' for an all-atom representation of ACN.