Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/cc-pCVTZ
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.04 | 1.06 | 1.08 | 1.10 | 1.12 | 1.14 | 1.16 | 1.18 | 1.20 | 1.22 | 1.24 | 1.26 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.120 | 0.066 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NNH+ | Dinitrogen monohydride cation | 1.060 |
Highest value | HN3 | hydrogen azide | 1.233 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2 | Nitrogen diatomic | 1.066 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.060 | 1 | 2 |
N2H2 | (E)-diazene | 1.209 | 1 | 2 |
N2O | Nitrous oxide | 1.081 | 1 | 2 |
HN3 | hydrogen azide | 1.233 | 1 | 2 |
1.087 | 2 | 3 | ||
CH2NN | diazomethane | 1.101 | 2 | 3 |