Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B97D3/daug-cc-pVTZ
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1.00 | 1.10 | 1.20 | 1.30 | 1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.225 | 0.172 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | N2 | Nitrogen diatomic | 1.099 |
Highest value | N2O4 | Dinitrogen tetroxide | 1.904 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.118 | 1 | 2 |
N2 | Nitrogen diatomic | 1.099 | 1 | 2 |
N2+ | diatomic nitrogen cation | 1.111 | 1 | 2 |
H2NN | Isodiazene | 1.207 | 1 | 2 |
N2H4 | Hydrazine | 1.442 | 1 | 2 |
N2H4+ | hydrazine cation | 1.315 | 1 | 2 |
CNN | Diazocarbene | 1.194 | 2 | 3 |
N2O- | Nitrous oxide anion | 1.177 | 1 | 2 |
N2O | Nitrous oxide | 1.133 | 1 | 2 |
N2O+ | Nitrous oxide cation | 1.155 | 1 | 2 |
HN3 | hydrogen azide | 1.237 | 1 | 2 |
1.136 | 2 | 3 | ||
HN3+ | Hydrazoic acid cation | 1.256 | 1 | 2 |
1.134 | 2 | 3 | ||
CH2N2 | diazirine | 1.226 | 2 | 3 |
CH2NN | diazomethane | 1.141 | 2 | 3 |
NH2NN+ | hydrazoic acid, protonated | 1.115 | 1 | 2 |
1.278 | 1 | 3 | ||
HNNNH+ | 1,2-Triazadienium | 1.172 | 1 | 2 |
1.172 | 1 | 3 | ||
N2O4 | Dinitrogen tetroxide | 1.904 | 1 | 2 |