Comparing the extracted total ferromagnetic and individual antiferromagnetic contributions from the angle and dihedral scans, Table , allows us to better estimate the error range of the general decomposition approach, independent of uncertainties in the exact scanning range of both methods. Across all scanning methods, the ferromagnetic component derived from pure CASSCF calculations stays within a small range of +34 to +27 cm -1 for the copper complex and +37 to +13 cm -1 for the nickel complex. These values are consistent with the range of + (1 -50) cm -1 expected by Hoffmann et al. These findings reinforce our earlier Table : Ferromagnetic and antiferromagnetic contributions (J F/AF,σ,π,δ ) to the overall magnetic coupling constant for the equilibrium geometries of copper, nickel, and iron complexes, calculated using CASSCF and NEVPT2 methods with the M -O -M -N dihedral scan approach.