In this work, we have used multiple functionals to calculate energies, both in the gas phase and in the solvent phase (see Figures ). Using multiple functionals in DFT calculations is recommended, as different functionals have varying levels of accuracy and are suitable for different chemical systems. By comparing the results obtained from multiple functionals, we can assess the level of agreement and identify possible discrepancies. The results obtained using all the functionals considered in this work follow the same general trends, with the exception of the M062X functional. Specifically, great agreement was obtained for the relative stabilities of the different clusters and the preferred geometrical arrangements. Following the consensus obtained by the majority of the functionals used and for clarity's sake, we have decided to exclusively report results obtained with a single functional. In the manuscript, we report results obtained with the state-of-the-art functional ωB97XD, which includes long-range corrections.