Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCD/3-21G*
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.82 | 1.83 | 1.83 | 1.84 | 1.84 | 1.85 | 1.85 | 1.86 | 1.86 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.842 | 0.015 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlN | Aluminum nitride | 1.827 |
Highest value | AlNC | Aluminum isocyanide | 1.857 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlN | Aluminum nitride | 1.827 | 1 | 2 |
AlNC | Aluminum isocyanide | 1.857 | 1 | 2 |