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)=FULL/daug-cc-pVDZ
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1.10 | 1.12 | 1.14 | 1.16 | 1.18 | 1.20 | 1.22 | 1.24 | 1.26 | 1.28 | 1.30 | 1.32 | 1.34 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.185 | 0.062 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NNH+ | Dinitrogen monohydride cation | 1.115 |
Highest value | HN3+ | Hydrazoic acid cation | 1.317 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.120 | 1 | 2 |
N2 | Nitrogen diatomic | 1.120 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.115 | 1 | 2 |
H2NN | Isodiazene | 1.236 | 1 | 2 |
CNN | Diazocarbene | 1.227 | 2 | 3 |
N2O | Nitrous oxide | 1.148 | 1 | 2 |
HN3 | hydrogen azide | 1.264 | 1 | 2 |
1.151 | 2 | 3 | ||
HN3+ | Hydrazoic acid cation | 1.317 | 1 | 2 |
1.135 | 2 | 3 | ||
HNNNH+ | 1,2-Triazadienium | 1.196 | 1 | 2 |
1.196 | 1 | 3 |