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 MP3/cc-pCVDZ
| Species |
Name |
Bond type |
Bond Length (Å) |
| Experimental |
Calculated |
Difference |
| AlN |
Aluminum nitride |
rNAl |
1.786 |
1.853 |
0.066 |
1 molecules.
