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
SO₂F₂	Sulfuryl fluoride	rFS	1.530	1.614	0.084
AlCl	Aluminum monochloride	rAlCl	2.130	2.205	0.074
Ne₂	Neon dimer	rNeNe	3.100	3.173	0.073
SiF₂	Silicon difluoride	rFSi	1.590	1.655	0.065
CBrCl₃	Methane, bromotrichloro-	rCCl	1.765	1.821	0.056

5 molecules.