We also test other SQM methods, including GFN1-xTB, GFN2-xTB, and PM6, but PM3 performed best when compared to DFT results (Figure ). When we compute the energies for each fragment, we use the energy for the most stable conformer. The fragments' most stable conformer is found by systematically sampling conformers by rotating all rotatable bonds by ±120 degrees and then performing We then remove all reactions with reaction energies above 30 kcal/mol. This value is chosen because we normally would define low-barrier reactions as being below 30 kcal/mol and we want to investigate how many structures this cutoff eliminates. As we show below, this cutoff does not eliminate the reactions of interest for this particular molecule.