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
CaOH	Calcium monohydroxide	rOCa	1.976	2.102	0.126
HO₂	Hydroperoxy radical	rOO	1.331	1.439	0.109
CS	carbon monosulfide	rCS	1.535	1.607	0.072
CuCl	Copper monochloride	rCuCl	2.051	2.118	0.067

4 molecules.