All methods provide on average satisfactory geometries with a difference in bb-RMSD of less than 0.5 Å with the reference LM. In addition to providing the closest structural match, the B3LYP/6-31G PES is the best surrogate with respect to relative energies in the low energy realm. However, the performance of some of the other tested surrogates can markedly deviate from the overall energetic performance shown in Figure . Both GAFF(RESP), as well as DFTB3, are comparatively less accurate with MAEs between 6 and 7 kcal/mol for both cis and trans configurations. Although PM7 performs well for trans low-lying minima, it shows more weaknesses in ranking higher energy configurations (Figure ) as well as cis isomers in the low-energy range, which highlights the fact that the performance of surrogates can be system-dependent. Finally, AMOEBA and PM6 exhibit the smallest MAEs of all non-DFT methods with balanced accuracies for the two configurational classes.