With both of our forcefields having different behaviors in terms of geometrical deformation, we expect that thermodynamic properties will also be different. We further explore these disparities by focusing on thermodynamic aspects, using Equation . The equation makes use of the Computational Hydrogen Electrode (CHE) scheme which enables extrapolation of the free energy at different potentials as a posteriori correction. Additionally, this approach also avoids calculations involving atomic or molecular oxygen, which are known to be problematic for DFT. ∆G