1 CLF Fe(8)-S(7) cluster 1.000 2 UFF Fe(7)-S(7) cluster 0.933 3 A1JPW Fe(8)-S(7) cluster, p1+ state conformer a 0.875 4 A1JPX Fe(8)-S(7) cluster, p1+ state conformer B 0.875 5 LPJ Fe(6)-S(7) cluster 0.867 6 1CL Fe(8)-S(7) cluster, oxidized 0.765