IV.D.7. (XVIII.A.2.)

Bad Calculated Bond Lengths

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

Species	Name	Bond type	Bond Length (Å)
Species	Name	Bond type	Experimental	Calculated	Difference
CH₃S	thiomethoxy	rCH	1.090	2.357	1.267
ClF⁺	clorine monofluoride cation	rFCl	1.448	1.542	0.094
CH₂ClCHCl₂	1,1,2-trichloroethane	rCC	1.580	1.516	-0.064
PCl₅	Phosphorus pentachloride	rPCl	2.214	2.154	-0.060
ClNO₂	Nitryl chloride	rNCl	1.840	1.898	0.058
BHCl₂	Borane, dichloro-	rBH	1.130	1.180	0.050

6 molecules.