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
Si₂	Silicon diatomic	rSiSi	2.246	2.157	-0.089
B₂	Boron diatomic	rBB	1.590	1.515	-0.075
NCl	nitrogen monochloride	rNCl	1.611	1.673	0.062
BrO	Bromine monoxide	rOBr	1.718	1.774	0.056
C₂	Carbon diatomic	rCC	1.243	1.298	0.055

5 molecules.