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/cc-pV(T+d)Z
| Species |
Name |
Bond type |
Bond Length (Å) |
| Experimental |
Calculated |
Difference |
| NS |
Mononitrogen monosulfide |
rNS |
1.497 |
1.442 |
-0.055 |
1 molecules.
