the PSO shifts and dipolar shifts in VV approach. It is also noticed that estimated contact shifts in Table 2 also significantly differ between the approaches, specially for the C atoms due to variations in the spin-only χ s . Thus, CoTp 2 exemplifies the impact of model equations on QC evaluation of paramagnetic chemical shifts, particularly due to low-lying excited KDs. Proper QC evaluation of the dipolar shifts requires consideration beyond the two lowest KDs, instead of an SD approximation for the hyperfine tensor in mPV and BB model equations. While χ s tensor evaluation through VV approach partly addresses this, QC evaluation of A K tensors remains limited to the two KDs in an effective manner.