When comparing the PA clusters with literature, we find that the (PA) 1 (w) 1 cluster is consistent with the cluster obtained by Petersen-Sonn et al. at CAM-B3LYP/aug-cc-pVTZ level of theory and by Shemesh et al. at MP2/cc-pVDZ level of theory. However, for the (PA) 1 (w) 2-5 clusters we find slight discrepancies between our geometries and the literature geometries as the water structure here is much more diffuse compared to our well-centered and well-organized water structure. These geometric discrepancies could be ascribed to both differences in configurational sampling protocol and level of theory.