A comparison of mean absolute deviations (MADs) and maximum errors (MAXs) for different nuclei in Sets 1 and 2 with CCSD(T)/cc-pVnZ (n = T, Q, 5) and FPA-M. The reference data are from CCSD(T) extrapolated to the complete basis set (CBS) limit. FPA-M stands for a focal-point approach for magnetic property where a difference between CCSD(T) and MP2 shieldings at cc-pVTZ is added to the corresponding MP2/CBS value.
Four sets of molecules under investigation.
Differences a between CCSD(T) and MP2 calculated values (in ppm) at a given basis set.
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