return to home page

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.

Calculated at B2PLYP=FULL/CEP-31G

Species Name Bond type Bond Length (Å)
Experimental Calculated Difference
BF Boron monofluoride rBF 1.267 1.342 0.075
1 molecules.