its solvation Gibbs free energy (defined to transfer a solute from an ideal gas at a concentration of 1 mol L -1 to an ideal solution at a concentration of 1 mol L -1 ). The third term of this equation is usually referred to as the vibrational-rotational-translational contribution to the gas-phase Gibbs free energy. It can be written as δG * i,V RT = δG • i,V RT + RT ln RT p • , and it includes the free energy change associated to bring the solute from its ideal gas reference state at p • = 1 bar to a density of unit molarity , i.e. a reference state concentration of 1 mol L -1 . Note that omitting this factor would lead to a systematic error of 1.89 kcal mol -1 at 298.15 K to the absolute free energies . The last term involves the density and, despite being systematically omitted in the literature, has a notable impact on the free energies at high temperatures, especially for nonaqueous solvents, as shown by Noroozi and Smith . Equation ( ) provides the absolute free energies in solution at the standard state of 1 mol L -1 used in this work. Thermal contributions to solution-phase free energies (δG * V RT ) are computed by referencing the partition function to the ground-state electronic energy, which inherently includes the zero-point vibrational energy (ZPE). These contributions are calculated using ideal gas partition functions under the quasi-rigid rotor harmonic oscillator (quasi-RRHO) approximation , employing scaled 82 solution-phase harmonic vibrational frequencies, with the temperature and pressure fixed at 298.15 K and 1 bar, respectively.