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-pCVDZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.01 | 1.02 | 1.02 | 1.03 | 1.03 | 1.04 | 1.04 | 1.05 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.024 | 0.010 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HN3 | hydrogen azide | 1.011 |
Highest value | HNO | Nitrosyl hydride | 1.039 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NNH+ | Dinitrogen monohydride cation | 1.030 | 2 | 3 |
HNO | Nitrosyl hydride | 1.039 | 1 | 2 |
N2H2 | (E)-diazene | 1.020 | 1 | 3 |
1.020 | 2 | 4 | ||
HN3 | hydrogen azide | 1.011 | 1 | 4 |