We identified the most stable conformers in the gas phase for both neutral and charged solutes by using CREST at the GFN2-xTB level of theory. From these, the single most stable conformer for each solute was utilized as the starting point for geometry optimization and frequency analysis in the gas phase, employing the ωB97x-3c level of theory 89 via ORCA 5.0.3. The rigid rotor harmonic oscillator approximation is used with the