The improvement is relatively consistent across all molecules considered, with a mean average reduction in error of 0.93 mE h per electron. For context, the average error for the decontracted def2-SVP basis is 4.98 mE h per electron, hence the error is reduced by almost 20% in this reoptimization. We note that, despite this improvement, the basis set generated by Listing 3 is provided simply as an example of how BasisOpt could be used to generate a basis set optimized in molecular calculations and the resulting exponents are not necessarily a production-ready basis set.