For all clusters, we perform calculations using the eb-MBE of second and third order [eb-MBE(2) and eb-MBE(3)] and using the db-MBE of first, second, and third order [db-MBE(1), db-MBE(2), db-MBE(3)]. As reference, a supermolecular calculation of the full cluster is used. In all cases, we calculate interaction energies, E int = E tot -I E (1) I , i.e., the difference between the total energy of the cluster and the energies of the monomers. This also holds for relative interaction energies, which do not include the contribution that is due to changes in the monomer geometries (see the discussion in Ref. ). As explained above, we compare different embedding schemes in the MBE calculations, namely using the isolated subsystems (no embedding, labelled "iso"), point-charge embedding (labelled "PC"), and frozen-density embedding both with the unrelaxed frozen densities of the isolated environment molecules (labelled "FDE") and with a relaxed frozen environment density updated in freeze-and-thaw cycles (labelled "FDE-ft").