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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 ROHF/6-311G**

17 02 03 13 22
Species Name Bond type Bond Length (Å)
Experimental Calculated Difference
F2+ flourine diatomic cation rFF 1.322 1.208 -0.114
GaP Gallium monophosphide rPGa 2.450 2.310 -0.140
Ar2+ Argon diatomic cation rArAr 2.320 2.478 0.158
AlP Aluminum monophosphide rAlP 2.400 2.262 -0.138
CaC Calcium monocarbide rCCa 2.302 3.324 1.023
5 molecules.