For the calculation of the properties of the carbocation of Fdx, the following protocol was applied. Conformational search was performed similarly to the DP4+ protocol, mentioned above. Geometry optimizations were performed at the r 2 SCAN-3c level of theory. Numerical frequency calculations were performed at the same level of theory to characterize all stationary points. The electronic energy was further refined through single point calculations at the wB97M-V level of theory. All the atoms were described with def2-TZVPP basis set.