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 CCD/6-311+G(3df,2p)
| Species |
Name |
Bond type |
Bond Length (Å) |
| Experimental |
Calculated |
Difference |
| Si2 |
Silicon diatomic |
rSiSi |
2.246 |
2.157 |
-0.089 |
1 molecules.
