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/aug-cc-pVQZ
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1.08 | 1.10 | 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 |
---|---|
1.172 | 0.058 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NNH+ | Dinitrogen monohydride cation | 1.088 |
Highest value | CN2 | 3H-Diazirin-3-ylidene | 1.272 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.170 | 1 | 2 |
N2 | Nitrogen diatomic | 1.093 | 1 | 2 |
N2+ | diatomic nitrogen cation | 1.110 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.088 | 1 | 2 |
N2H2 | (Z)-Diazene | 1.239 | 1 | 2 |
N2H2 | (E)-diazene | 1.239 | 1 | 2 |
H2NN | Isodiazene | 1.215 | 1 | 2 |
CNN | Diazocarbene | 1.205 | 2 | 3 |
N3 | azide radical | 1.171 | 1 | 2 |
1.171 | 1 | 3 | ||
CN2 | 3H-Diazirin-3-ylidene | 1.272 | 2 | 3 |
N2O- | Nitrous oxide anion | 1.181 | 1 | 2 |
N2O | Nitrous oxide | 1.116 | 1 | 2 |
NNS | Nitrogen sulfide | 1.114 | 1 | 2 |
HN3 | hydrogen azide | 1.241 | 1 | 2 |
1.121 | 2 | 3 |