Average Bond Length Differences by Model Chemistry
The following tables the average bond length differences (theory - experiment) for various model chemistries.
Only averages with more than 100 bond lengths are displayed.
Bond lengths in Å.
Click on an entry for the list of molecules and bonds.
Methods with predefined basis sets
For descriptions of the methods (AM1, HF, MP2, ...) and basis sets (3-21G, 3-21G*, 6-31G, ...) see the
glossary in section I.C.
Predefined means the basis set used is determined by the method.