Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CISD/6-311+G(3df,2p)
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1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.204 | 0.137 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NNH+ | Dinitrogen monohydride cation | 1.083 |
Highest value | N2O4 | Dinitrogen tetroxide | 1.618 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2 | Nitrogen diatomic | 1.089 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.083 | 1 | 2 |
N2H2+ | trans-diazene cation | 1.153 | 1 | 2 |
H2NN | Isodiazene | 1.212 | 1 | 2 |
N2H4 | Hydrazine | 1.420 | 1 | 2 |
CNN | Diazocarbene | 1.215 | 2 | 3 |
N3 | azide radical | 1.161 | 1 | 2 |
1.161 | 1 | 3 | ||
N2O | Nitrous oxide | 1.106 | 1 | 2 |
HN3 | hydrogen azide | 1.235 | 1 | 2 |
1.110 | 2 | 3 | ||
HN3+ | Hydrazoic acid cation | 1.304 | 1 | 2 |
1.086 | 2 | 3 | ||
HNNNH+ | 1,2-Triazadienium | 1.159 | 1 | 2 |
1.159 | 1 | 3 | ||
N2O4 | Dinitrogen tetroxide | 1.618 | 1 | 2 |