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 CCSD/aug-cc-pVTZ
| Species |
Name |
Bond type |
Bond Length (Å) |
| Experimental |
Calculated |
Difference |
| NaLi |
lithium sodium |
rLiNa |
2.889 |
2.951 |
0.062 |
1 molecules.
