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 ROMP2/CEP-31G
| Species |
Name |
Bond type |
Bond Length (Å) |
| Experimental |
Calculated |
Difference |
| Se2 |
Selenium diatomic |
rSeSe |
2.166 |
2.371 |
0.205 |
1 molecules.
