We used two datasets in three experiments explored in this work. We chose to use the widely accessible chemical components dataset (CCD) for analyzing GAFF types. For the case of analyzing Sage torsion SMARTS, we used the set of molecules that were previously used to train the OpenFF Sage force field parameters . We used the same dataset to analyze DFT bond lengths because it was readily available. All molecules and data used in this work are listed in the Supplemental Information (SI). We describe the workflow and setup of the molecules for each dataset below.