For the full set of generated iodine-containing dimers, we find that the acids in general bind stronger to the iodine-containing compounds compared to the bases. The lowest binding free energies of the acid dimers generally range between -4 to -12 kcal/mol, while for the bases it ranges between -2 to -12 kcal/mol. Water is in general bound weakly, except for iodine tetroxide which has a binding free energy of -1.5 kcal/mol with water. The acids are all nearly equal in their ability to bind with the iodine-containing compounds, while the binding strength of the bases correlate with the base strength.