We have chosen a smaller pool of density functional approximations (DFA) that are cost effective from the get go and we are not looking into a comprehensive evaluation of all available DFAs. The choice of DFAs include those commonly used in developing force fields and charge models, and better performing ones from other benchmark studies. From our prior studies DZVP has been proven cost friendly and all the DFAs were tested with this basis set. And, within our current choice of DFA used in developing OpenFF force fields, B3LYP-D3BJ, we tested Ahlrichs def2 basis sets incrementing them systematically in size,