A PD approximation for the dipolar shifts may not be suitable in the close vicinity of the paramagnetic center due to significant spin delocalizaion. Specially for a complex with spin anisotropic ground state (Γ ̸ = 2S+1 S) and metal-centered spin orbitals associated with notable ligand-atomic basis, such as the two Co(II) complexes of Fig. . So, the two QC methods namely unrestricted DFT ZORA-PBE0 and SO-CASSCF-based hyperfine tensors were considered to calculate the shifts. Experimental NMR shifts help assess paramagnetic spin-orbit (PSO) contributions beyond spin-dipole (SD) values in each method, highlighting SOC effects at each theoretical level. PSO shifts arise from the g-shifts and g-anisotropy ∆ g of the paramagnetic ion. Contrasting the two QC methods, ZORA-PBE0 introduces orbital contributions for g-shifts coupled with SOC effects at the orbital level, while SO-CASCF directly evaluates the hyperfine operator's expectation value from multiconfigurational SO states based on an effective spin.