The relative energies for a given molecule (and isomer when relevant) are provided in Tables . Concerning relative stability of the conformations, HF/6-31G(d)//HF/6-31G(d) is able to provide a very general ordering of the predicted relative energies. However, including electron correlation into the calculations with at least a triple-zeta basis set is required for more reliable predictions of relative energies. As time allows, more refined optimizations will be performed using more rigorous theory levels (e.g. B97-D3(BJ)/cc-pVTZ). The tables within the body of the manuscript represent the most rigorous theory levels currently computed, while the SI material will contain data computed at lower theory levels.