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
Be₂	Beryllium diatomic	rBeBe	2.460	2.017	-0.443
C₂	Carbon diatomic	rCC	1.243	1.315	0.073
CO	Carbon monoxide	rCO	1.206	1.137	-0.069
CO	Carbon monoxide	rCO	1.206	1.137	-0.069
ONNO	NO dimer	rNN	2.236	2.181	-0.055

5 molecules.