For the cluster containing only iodic acid it can be seen that the inclusion of SOC is completely negligible with a value of 0.03 kcal/mol. The same trend due to valency can also be observed for the iodine oxides where the iodine tetroxide dimer has a stabilization difference of 0.6 kcal/mol compared to the iodine pentoxide dimer has a stabilization difference of 0.1 kcal/mol. Therefore, depending on which monomers are included, the SOC stabilization energy contribution to the binding free energy can become significant if more than one iodous acid or iodine tetroxide is present or they are a part of a large cluster. Furthermore, it can be observed that different configurations have little to very little impact on the observed SOC stabilization energy, which shows that the monomer results from Figures S4 and S5 in Section S2.2 of the SI also applies for the dimers.