Judging by the dependence for dipole moment and the more complicated one for polarization (since the perturbation of the system by the external field is calculated), the wave functions are explicitly included in all the expressions of these parameters. In several models, the wave functions are also included in some terms of the solvation energy expression. Notably, in addition to a number of summands responsible for the environment polarization, cavity formation and other contributions, the solvation energy is determined by the first solvation shell, which is formed by the solvent directly bound to the ion. As paragraph 3 shows, the energy of binding to water and the intermolecular distances are related to the HOMO and LUMO. The redox potential, in turn, contains the solvation energies of the reactants in the original entry and, therefore, depends on the internal rearrangement of the bonds and the environment response to the charge. Such facts and some literature data suggest a possible correlation of the mentioned parameters with the orbital energy level. In general, the mentioned physicochemical parameters, as in works, are likely to depend on a whole range of descriptors, but for simplicity of the analysis we will focus on the correlations with MO levels only.. According to the calculations (Figure ), the dependence of the dipole moment for the cations on ε HOMO is nearly sigmoidal, for compact one-atom ions (alkali metals) and symmetric ions (TMA + ) in the range ε HOMO = -3 --0.7 a.u. the dipole moment is equal to zero. Starting from ε HOMO > -0.62 a.u. a sharp increase in the dipole moment value is observed, with the maximum values corresponding to the voluminous and asymmetric CP + , CTA + and DMI + cations. The dependence of the dipole moment of anions on ε LUMO (Figure ) decreases exponentially in the range ε LUMO = 0.08 -0.25 a.u., the maximum dipole moment is observed for voluminous DS -, followed by BuCOO -, p-TsO -. At ε LUMO > 0.25 a.u. the dipole moment of the anions becomes close to zero (for halides and symmetric NO 3 -, ClO 4 -, etc.).