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. 2007 Sep 9;13(12):1173–1213. doi: 10.1007/s00894-007-0233-4

Table 14.

Average unsigned errors in I.P.s for various sets of elements (eV)

Set of elements No. PM6 RM1 PM5 PM3 AM1
H, C, N, O 99 0.45 0.40 0.41 0.51 0.45
H, C, N, O, F, P, S, Cl, Br, I 229 0.47 0.41 0.44 0.51 0.56
Whole of main group 383 0.50 0.49 0.68 0.63
70 elements 385 0.50