Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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TPSSh/6-31G(2df,p)
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.782 | 0.048 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlN- | aluminum mononitride anion | 1.721 |
Highest value | AlNC | Aluminum isocyanide | 1.852 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlN- | aluminum mononitride anion | 1.721 | 1 | 2 |
AlN | Aluminum nitride | 1.793 | 1 | 2 |
AlN+ | aluminum mononitride cation | 1.763 | 1 | 2 |
AlNC | Aluminum isocyanide | 1.852 | 1 | 2 |