According to the score that we formulated to quantify the deviation of the simulated RDFs from the experimental reference (equation ( )), our model exhibited the highest level of accuracy in replicating the experimental RDFs (Figure ). Despite the fact that a model optimized as such is found the best one, this is not surprising since our model was optimized to reproduce experimental RDFs. Nonetheless it can be noticed that also in our case the Oxygen-Hydrogen RDF is overlocalized which appears as unavoidable in such models, where the nuclear quantum effects are not explicitly included. Similarly, in the attempt to fit at best the 2 nd and 3 rd solvation shell in the Oxygen-Oxygen RDF (identified by the 2 nd and 3 rd g OO peaks) produces an unavoidable overlocalization of the 1 st peak (an enlarged plot of the RDFs around the solvation shells is provided for clarity in Figure of the Supporting Information).