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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 | |
MP2/3-21G*
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| 1.97 | 1.97 | 1.98 | 1.98 | 1.99 | 1.99 | 2.00 | 2.00 | ||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.984 | 0.008 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | AlC | Aluminum carbide | 1.973 |
| Highest value | AlCN | Aluminum monocyanide | 1.998 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| AlC | Aluminum carbide | 1.973 | 1 | 2 |
| AlCN | Aluminum monocyanide | 1.998 | 1 | 2 |
| Al(CH3)3 | trimethyl aluminum | 1.983 | 1 | 2 |
| 1.983 | 1 | 3 | ||
| 1.983 | 1 | 4 |