• Electronic energy may need to be corrected by a single-point electronic energy calculation. This is not needed if a high-level method with a large enough basis set is used. Although the DFT method of our choice, 𝜔B97X-D/6-31++G(d,p) (further referred to as DFT), provides accurate geometries and thermal contributions, the electronic energy must be corrected at a higher level of theory. For instance, cost-effective domain-based local pair natural orbital (DLPNO) variant of coupled-cluster methods such as DLPNO-CCSD(T 0 )/aug-cc-pVTZ (further referred to as DLPNO) with NormalPNO criteria can be utilized to calculate Gibbs free energies as