Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2=FULL/cc-pCVDZ
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4 | |||||||||||||||||||||||||||||||
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0 | |||||||||||||||||||||||||||||||
1.12 | 1.14 | 1.16 | 1.18 | 1.20 | 1.22 | 1.24 | 1.26 | 1.28 | 1.30 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.176 | 0.045 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NNH+ | Dinitrogen monohydride cation | 1.123 |
Highest value | N2H2 | (E)-diazene | 1.265 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2 | Nitrogen diatomic | 1.128 | 1 | 2 |
N2+ | diatomic nitrogen cation | 1.153 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.123 | 1 | 2 |
N2H2 | (E)-diazene | 1.265 | 1 | 2 |
N3 | azide radical | 1.184 | 1 | 2 |
1.184 | 1 | 3 | ||
N2O | Nitrous oxide | 1.171 | 1 | 2 |
HN3 | hydrogen azide | 1.251 | 1 | 2 |
1.158 | 2 | 3 | ||
CH2NN | diazomethane | 1.147 | 2 | 3 |