The same conclusion can be drawn based on the B97-3c binding energies or the binding free energies calculated on top of the GFN1-xTB geometries. However, it is seen that the ABCluster and CREST distributions have reversed order (Figure , middle panel). This is surprising and implies that we cannot guarantee that screening at the GFN1-xTB level will yield meaningful data if the target level is B97-3c in the end. Previous studies on configurational sampling on small clusters using a funneling approach have found that GFN1-xTB is correlated with higher-level methods. Figure in the bottom panel shows the correlation between GFN1-xTB and B97-3c. Unfortunately, little correlation is seen between the two methods, which implies that a meaningful cutoff cannot be applied at the GFN1-xTB level, and all configurations need at least single-point energy evaluations at the B97-3c level to ensure that low-energy conformers are not discarded.