Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/6-311+G(3df,2p)
7 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
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3 | |||||||||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.05 | 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 |
---|---|
1.193 | 0.086 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HN3+ | Hydrazoic acid cation | 1.080 |
Highest value | N2H4 | Hydrazine | 1.429 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2 | Nitrogen diatomic | 1.113 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.107 | 1 | 2 |
N2H2+ | trans-diazene cation | 1.172 | 1 | 2 |
H2NN | Isodiazene | 1.212 | 1 | 2 |
N2H4 | Hydrazine | 1.429 | 1 | 2 |
CNN | Diazocarbene | 1.226 | 2 | 3 |
N3 | azide radical | 1.172 | 1 | 2 |
1.172 | 1 | 3 | ||
N2O | Nitrous oxide | 1.154 | 1 | 2 |
HN3 | hydrogen azide | 1.241 | 1 | 2 |
1.145 | 2 | 3 | ||
HN3+ | Hydrazoic acid cation | 1.332 | 1 | 2 |
1.080 | 2 | 3 | ||
HNNNH+ | 1,2-Triazadienium | 1.167 | 1 | 2 |
1.167 | 1 | 3 |