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In Approach II, the virtual site charge ~0.17e on the pyridine was regarded as somewhat low. This fit adds a weak charge restraint to initial values for all virtual sites, which primarily affected the pyridine virtual site. This . The resulting charge around 0.3 e did not improve performance on condensed phase properties. In addition, we took a closer look at Br properties, which also showed worse performance. This may be due to a lack of multi-site Br fitting data. In Approach IV we attempted a re-fit with additional data.