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
Al₂	Aluminum diatomic	rAlAl	2.701	2.969	0.268
Na₂⁺	sodium dimer cation	rNaNa	3.540	3.711	0.171
Si₂	Silicon diatomic	rSiSi	2.246	2.079	-0.167
AlN	Aluminum nitride	rNAl	1.786	1.687	-0.100
ClF⁺	clorine monofluoride cation	rFCl	1.448	1.529	0.081
B₂	Boron diatomic	rBB	1.590	1.520	-0.070
C₂	Carbon diatomic	rCC	1.243	1.308	0.065

7 molecules.