Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/aug-cc-pVQZ
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1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.217 | 0.094 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NNH+ | Dinitrogen monohydride cation | 1.105 |
Highest value | N2H5+ | protonated hydrazine | 1.434 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.178 | 1 | 2 |
N2 | Nitrogen diatomic | 1.111 | 1 | 2 |
N2+ | diatomic nitrogen cation | 1.129 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.105 | 1 | 2 |
N2H2 | (Z)-Diazene | 1.250 | 1 | 2 |
N2H2 | (E)-diazene | 1.251 | 1 | 2 |
N2H2+ | trans-diazene cation | 1.170 | 1 | 2 |
H2NN | Isodiazene | 1.210 | 1 | 2 |
N2H4 | Hydrazine | 1.429 | 1 | 2 |
N2H4+ | hydrazine cation | 1.306 | 1 | 2 |
N2H5+ | protonated hydrazine | 1.434 | 1 | 2 |
N3 | azide radical | 1.170 | 1 | 2 |
1.170 | 1 | 3 | ||
CN2 | 3H-Diazirin-3-ylidene | 1.294 | 2 | 3 |
N2O- | Nitrous oxide anion | 1.163 | 1 | 2 |
N2O | Nitrous oxide | 1.152 | 1 | 2 |
NNS | Nitrogen sulfide | 1.156 | 1 | 2 |
HNNNH+ | 1,2-Triazadienium | 1.165 | 1 | 2 |
1.165 | 1 | 3 | ||
NH2NO | Nitrosamide | 1.323 | 2 | 3 |