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
CaH	Calcium monohydride	rHCa	2.003	2.216	0.213
CaCl	calcium monochloride	rClCa	2.437	2.635	0.199
CaOH	Calcium monohydroxide	rOCa	1.976	2.080	0.104
CH₃I	methyl iodide	rCI	2.136	2.212	0.077
CaOH	Calcium monohydroxide	rHO	0.930	0.986	0.056

5 molecules.