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
CaCl	calcium monochloride	rClCa	2.437	2.566	0.129
C₂	Carbon diatomic	rCC	1.243	1.328	0.085
CuH	Copper monohydride	rHCu	1.463	1.379	-0.083
B₂	Boron diatomic	rBB	1.590	1.523	-0.067
BrO	Bromine monoxide	rOBr	1.718	1.771	0.053

5 molecules.