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Previously,we developed a Gaussian charge distribution model [1](GM)containing only spherical Gaussian functions to partition the molecular electron density into overlapping spherical atomic domains.Here,we introduce a hybrid Gaussian charge distribution model [2 ](HGM),which is a further improvement upon the GM.The semi-empirical HGM consists of atom-centered spherical Gaussian functions and discrete point charges,which are optimized to reproduce the electrostatic potential on the molecular surface as well as the number of electrons in atom-centered and certain off-atom-centered spherical regions as closely as possible.