Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP3=FULL/6-31G(2df,p)
7 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
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 |
---|---|
1.194 | 0.107 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HN3+ | Hydrazoic acid cation | 1.085 |
Highest value | N2H5+ | protonated hydrazine | 1.437 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2- | nitrogen diatomic anion | 1.189 | 1 | 2 |
N2 | Nitrogen diatomic | 1.094 | 1 | 2 |
NNH+ | Dinitrogen monohydride cation | 1.088 | 1 | 2 |
N2H2+ | trans-diazene cation | 1.160 | 1 | 2 |
N2H4 | Hydrazine | 1.432 | 1 | 2 |
N2H5+ | protonated hydrazine | 1.437 | 1 | 2 |
N3 | azide radical | 1.166 | 1 | 2 |
1.166 | 1 | 3 | ||
N2O- | Nitrous oxide anion | 1.166 | 1 | 2 |
N2O | Nitrous oxide | 1.115 | 1 | 2 |
HN3+ | Hydrazoic acid cation | 1.310 | 1 | 2 |
1.085 | 2 | 3 | ||
NNOH+ | Nitrous Oxide, O-protonated | 1.095 | 1 | 2 |
HNNO+ | Nitrous oxide, N-protonated | 1.135 | 1 | 2 |
HNNNH+ | 1,2-Triazadienium | 1.167 | 1 | 2 |
1.167 | 1 | 3 | ||
NH2NO2 | nitramide | 1.380 | 1 | 2 |
CH3N3 | methyl azide | 1.228 | 2 | 3 |
1.123 | 3 | 4 | ||
CH3NHN2+ | methyl azide, protonated | 1.271 | 2 | 3 |
1.104 | 3 | 4 |