The computational details for obtaining the LFT and spin Hamiltonian parameters using ORCA are described in the Supporting Information. The left side of Figure shows the relative deviation of the finite field chemical shifts in NiSAL-HDPT with respect to the shifts obtained with the largest Lebedev grid, i.e., |δ -δ largest |/|δ largest | at 400 MHz proton Larmor frequency and a temperature of 298 K. In total, we have implemented 32 Lebedev grids that have between 6 and 5810 grid points. Hence, the plot contains 31 data points.