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	2.336	1.246
NS	Mononitrogen monosulfide	rNS	1.497	1.412	-0.086
CH₂ClCHCl₂	1,1,2-trichloroethane	rCC	1.580	1.507	-0.073
ClF⁺	clorine monofluoride cation	rFCl	1.448	1.520	0.072
SO₂Cl₂	Sulfuryl chloride	rSCl	2.076	2.006	-0.070
CP	Carbon monophosphide	rCP	1.562	1.506	-0.057
SiN	Silicon nitride	rSiN	1.575	1.524	-0.052

7 molecules.