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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/cc-pV(T+d)Z

Species Name Bond type Bond Length (Å)
Experimental Calculated Difference
ClF3 Chlorine trifluoride rFCl 1.597 1.543 -0.054
ClF3 Chlorine trifluoride rFCl 1.597 1.543 -0.054
2 molecules.