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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 QCISD(T)/6-311G**

17 02 03 13 22
Species Name Bond type Bond Length (Å)
Experimental Calculated Difference
HClO4 perchloric acid rOH 0.980 3.232 2.252
HClO4 perchloric acid rOCl 1.414 1.704 0.290
HClO4 perchloric acid rOCl 1.641 1.443 -0.198
3 molecules.