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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Calculated > Geometry > Calculated geometry > One type of bond | |
M06-2X/6-31G
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| 2.02 | 2.02 | 2.03 | 2.03 | 2.04 | 2.04 | 2.05 | 2.05 | ||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.037 | 0.012 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | AlC | Aluminum carbide | 2.024 |
| Highest value | AlCN | Aluminum monocyanide | 2.049 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| AlC | Aluminum carbide | 2.024 | 1 | 2 |
| AlCN | Aluminum monocyanide | 2.049 | 1 | 2 |