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/cc-pCVDZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.03 | 1.03 | 1.03 | 1.03 | 1.03 | 1.04 | 1.04 | 1.04 | 1.04 | 1.04 | 1.05 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.038 | 0.006 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HN3 | hydrogen azide | 1.028 |
Highest value | NNH+ | Dinitrogen monohydride cation | 1.043 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NNH+ | Dinitrogen monohydride cation | 1.043 | 2 | 3 |
N2H2 | (E)-diazene | 1.041 | 1 | 3 |
1.041 | 2 | 4 | ||
HN3 | hydrogen azide | 1.028 | 1 | 4 |