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	2.346	1.256
PCl₅	Phosphorus pentachloride	rPCl	2.214	2.120	-0.094
NS	Mononitrogen monosulfide	rNS	1.497	1.415	-0.082
ClF⁺	clorine monofluoride cation	rFCl	1.448	1.522	0.073
CH₂ClCHCl₂	1,1,2-trichloroethane	rCC	1.580	1.514	-0.066
SO₂Cl₂	Sulfuryl chloride	rSCl	2.076	2.016	-0.060
BHCl₂	Borane, dichloro-	rBH	1.130	1.180	0.050

7 molecules.