Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CID/3-21G*
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.97 | 1.97 | 1.98 | 1.98 | 1.99 | 1.99 | 2.00 | 2.00 | 2.01 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.983 | 0.010 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlC | Aluminum carbide | 1.971 |
Highest value | AlCN | Aluminum monocyanide | 2.002 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlC | Aluminum carbide | 1.971 | 1 | 2 |
AlCN | Aluminum monocyanide | 2.002 | 1 | 2 |
Al(CH3)3 | trimethyl aluminum | 1.980 | 1 | 2 |
1.980 | 1 | 3 | ||
1.980 | 1 | 4 |