Here, ∆𝐻 𝑔 is the enthalpic component; ∆ 𝑍𝑃𝐸 is the difference in zero-point energy, and 𝑇∆𝑆 is the entropic component which includes vibrational, rotational, and translational contributions thermochemistry was performed under standard conditions, T = 298.15 K, P = 1.0 atm. The entropic and zero-point terms were computed using harmonic vibrational frequencies; optimised at the the PBE level with triple-ζ polarization basis sets. These values were applied for correcting the energies determined with the hybrid functionals. All computational results were obtained using the ARCHIE-WeSt High Performance Computer (see www.archie-west.ac.uk) based at the University of Strathclyde.