Table 7 MADFe–S values for the L local minima of the Ox and Red states of the proteins using the TPSS, BLYP, PBE, BP86, B97-D, TPSSH, r2SCAN, B3LYP and B3LYP* functionals, and def2-SV(P) and def2-TZVPD basis sets. The last row shows the average MADFe–S values for a given level of theory. The values are all in Å.
From: Two local minima for structures of [4Fe–4S] clusters obtained with density functional theory methods
