Skip to main content
. 2016 Jan 15;12(3):1082–1096. doi: 10.1021/acs.jctc.5b01046

Table 8. Mean Absolute Errors in Selected Interatomic Distances (Å) and Angles (deg) from PM7 and OMx-Dn Optimizations for the S22 Set.

    method
      OM2
OM3
subset N PM7 D2 D3 D3T D2 D3 D3T
Selected Interatomic Distances
overall 105 0.565 0.287 0.281 0.424 0.265 0.281 0.285
Selected Angles
overall 14 10.76 2.47 2.63 2.60 1.08 0.86 0.85