This regression procedure provides two outputs: (i) the y-intercept, which corresponds to the total ferromagnetic coupling in the system and is identical to twice the sum of the classical Hartree-Fock (HF) exchange interactions of the magnetic orbital pairs; (ii) the slopes for each active orbital pair, which quantifies the antiferromagnetic contribution to the overall coupling and is inversely proportional to the difference of the inter-and intra-site Coulomb interaction of the respective orbital pair. Since the multicomponent fitting procedure uses linear regression, a single minimum is obtained. For [Fe 2 (µ-O)(NH 3 ) 10 ] 2+ , the system with the largest number of coupling paths in this study (four in total), a minimum of five data points is required in the scan to avoid underfitting. To ensure clear trends in the analysis, this study utilizes 11 data points for the M -O -M angle scans and 14 data points for the M -O -M -N dihedral scans.