Focusing on the linear sections, the ferromagnetic and antiferromagnetic contributions in the σ g,u orbital pair are quantified. The extracted ferromagnetic components, see Table , fall within a relatively narrow range of +21 to +34 cm -1 across all scans, in line with expectations formulated by Hoffmann et al. (+1 to +50 cm -1 ). The antiferromagnetic coupling along the σ path increases substantially with the inclusion of perturbation theory, from values of -83 and -87 cm -1 for the small and large active space to -148 and -192 cm -1 , respectively. This further highlights the influence of dynamic charge polarization in the NEVPT2 calculations.