However, due to the results in Figure , we continue to use 10 roots given that this results in SOC stabilization energies closer to the ones observed by Khanniche et al. for the monomers. However, it can be seen that around 30 roots will also lead to converged results (see Figure ) and could be used as an alternative. In Table the SOC stabilization energy difference can be seen for different iodine oxy-acid dimers, where it has been carried out for the 5 lowest cluster configurations in order to estimate a standard deviation. This SOC stabilization energy difference quantifies the contribution to the binding free energy from the inclusion of SOC.