Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD(T)/daug-cc-pVDZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.10 | 1.20 | 1.30 | 1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.232 | 0.168 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NNH+ | Dinitrogen monohydride cation | 1.116 |
Highest value | N2O4 | Dinitrogen tetroxide | 1.776 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.120 | 1 | 2 |
N2 | Nitrogen diatomic | 1.121 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.116 | 1 | 2 |
H2NN | Isodiazene | 1.237 | 1 | 2 |
CNN | Diazocarbene | 1.228 | 2 | 3 |
N2O | Nitrous oxide | 1.149 | 1 | 2 |
HN3 | hydrogen azide | 1.265 | 1 | 2 |
1.152 | 2 | 3 | ||
HN3+ | Hydrazoic acid cation | 1.320 | 1 | 2 |
1.135 | 2 | 3 | ||
HNNNH+ | 1,2-Triazadienium | 1.197 | 1 | 2 |
1.197 | 1 | 3 | ||
N2O4 | Dinitrogen tetroxide | 1.776 | 1 | 2 |