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Bad Calculated Bond Lengths

List of molecules with calculated bond lengths that differ by more than 0.050 Å from experimental bond lengths.

Calculated at ROMP2/TZVP

17 02 03 13 22
Species Name Bond type Bond Length (Å)
Experimental Calculated Difference
KH Potassium hydride rKH 2.243 2.377 0.135
GaP Gallium monophosphide rPGa 2.450 2.193 -0.257
CaH Calcium monohydride rCaH 2.003 2.158 0.156
3 molecules.