Single-point calculations were performed at the DFT-optimized structures using high-level LPNO-CEPA/1 method in the unrestricted formalism. Here, we extrapolated the energies to the limit of the basis set (CBS) using a well-known two-point extrapolation scheme (def2-TZVPP/def2-QZVPP) . Solvation was described in the same way as geometry optimizations. The final reported energies are LPNO-CEPA/1//CBS energies with corrections for Gibbs free energy calculated at the DFT level.