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 LSDA/aug-cc-pVQZ
| Species |
Name |
Bond type |
Bond Length (Å) |
| Experimental |
Calculated |
Difference |
| LiCl- |
lithium chloride anion |
rLiCl |
2.180 |
2.087 |
-0.093 |
1 molecules.
