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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Calculated > Geometry > Calculated geometry > One type of bond | |
G4
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| 1.00 | 1.20 | 1.40 | 1.60 | 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | 3.40 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.282 | 0.223 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NO+ | nitric oxide cation | 1.058 |
| Highest value | N2O5 | Dinitrogen pentoxide | 3.035 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NO- | nitric oxide anion | 1.266 | 1 | 2 |
| NO | Nitric oxide | 1.150 | 1 | 2 |
| NO+ | nitric oxide cation | 1.058 | 1 | 2 |
| HNO- | Nitrosyl hydride anion | 1.323 | 2 | 3 |
| HNO | Nitrosyl hydride | 1.198 | 2 | 3 |
| HNO+ | Nitrosyl hydride cation | 1.123 | 2 | 3 |
| NOH | Hydroxyimidogen | 1.326 | 1 | 2 |
| NOH+ | O-protonated nitric oxide | 1.174 | 1 | 2 |
| H2NO | nitroxide | 1.274 | 1 | 2 |
| NH2OH | hydroxylamine | 1.429 | 1 | 2 |
| NH2OH+ | Hydroxylamine cation | 1.296 | 1 | 2 |
| NH3OH+ | N-protonated hydroxylamine | 1.403 | 1 | 2 |
| NH2OH2+ | protonated hydroxylamine | 1.484 | 1 | 2 |
| N2O- | Nitrous oxide anion | 1.310 | 2 | 3 |
| N2O | Nitrous oxide | 1.186 | 2 | 3 |
| N2O+ | Nitrous oxide cation | 1.222 | 2 | 3 |
| NO2- | Nitrogen dioxide anion | 1.256 | 1 | 2 |
| 1.256 | 1 | 3 | ||
| NO2 | Nitrogen dioxide | 1.189 | 1 | 2 |
| 1.189 | 1 | 3 | ||
| NO2+ | Nitrogen dioxide cation | 1.114 | 1 | 2 |
| 1.114 | 1 | 3 | ||
| CNO- | fulminate | 1.267 | 1 | 3 |
| SNO | Nitrogen oxide sulfide | 1.187 | 1 | 3 |
| FNO | Nitrosyl fluoride | 1.148 | 2 | 3 |
| ClNO | Nitrosyl chloride | 1.135 | 2 | 3 |
| BrNO | Nitrosyl bromide | 1.130 | 1 | 3 |
| HCNO | fulminic acid | 1.204 | 1 | 2 |
| HNO2 | Nitrous acid | 1.174 | 3 | 4 |
| 1.385 | 2 | 3 | ||
| HNO2+ | nitrous acid cation | 1.153 | 3 | 4 |
| 1.282 | 2 | 3 | ||
| NNOH+ | Nitrous Oxide, O-protonated | 1.269 | 2 | 3 |
| HNNO+ | Nitrous oxide, N-protonated | 1.150 | 2 | 3 |
| NH2NO | Nitrosamide | 1.207 | 1 | 2 |
| CH2NOH | formaldoxime | 1.385 | 2 | 3 |
| CH3NO | nitrosomethane | 1.199 | 2 | 3 |
| CNOH3 | 1,2-oxaziridine | 1.492 | 2 | 3 |
| NO3- | nitrate anion | 1.259 | 1 | 2 |
| 1.259 | 1 | 3 | ||
| 1.259 | 1 | 4 | ||
| NO3 | Nitrogen trioxide | 1.327 | 1 | 2 |
| 1.200 | 1 | 3 | ||
| 1.200 | 1 | 4 | ||
| NO3+ | nitrogen trioxide cation | 1.132 | 1 | 2 |
| 1.303 | 1 | 3 | ||
| 1.303 | 1 | 4 | ||
| FNO2 | Nitryl fluoride | 1.185 | 1 | 3 |
| 1.185 | 1 | 4 | ||
| FONO | Nitrosyl hypofluorite | 1.161 | 3 | 4 |
| 1.413 | 2 | 3 | ||
| ClNO2 | Nitryl chloride | 1.193 | 2 | 3 |
| 1.193 | 2 | 4 | ||
| ClONO | chlorine nitrite | 1.165 | 3 | 4 |
| 1.400 | 2 | 3 | ||
| BrONO | Bromine nitrite | 1.169 | 3 | 4 |
| 1.361 | 2 | 3 | ||
| HNO3 | Nitric acid | 1.376 | 1 | 2 |
| 1.211 | 1 | 3 | ||
| 1.196 | 1 | 4 | ||
| H2NO3+ | Nitric Acid, Protonated | 1.169 | 1 | 2 |
| 1.303 | 1 | 3 | ||
| 1.303 | 1 | 4 | ||
| NH2NO2 | nitramide | 1.222 | 2 | 3 |
| 1.222 | 2 | 4 | ||
| CH3NO2 | Methane, nitro- | 1.220 | 2 | 6 |
| 1.220 | 2 | 7 | ||
| CH3ONO | Methyl nitrite | 1.186 | 6 | 7 |
| 1.359 | 2 | 6 | ||
| CH3CHNOH | Acetaldoxime | 1.392 | 3 | 4 |
| N2O3 | Dinitrogen trioxide | 1.152 | 1 | 3 |
| 1.197 | 2 | 4 | ||
| 1.200 | 2 | 5 | ||
| ONONO | Nitrosyl nitrite | 1.159 | 2 | 4 |
| 1.159 | 3 | 5 | ||
| 1.484 | 1 | 2 | ||
| 1.484 | 1 | 3 | ||
| FNO3 | Fluorine nitrate | 1.438 | 1 | 2 |
| 1.187 | 1 | 3 | ||
| 1.194 | 1 | 4 | ||
| F3NO | Nitrogen trifluoride oxide | 1.180 | 1 | 2 |
| ClONO2 | Chlorine nitrate | 1.194 | 3 | 4 |
| 1.196 | 3 | 5 | ||
| 1.424 | 2 | 3 | ||
| BrONO2 | Bromine nitrate | 1.198 | 3 | 4 |
| 1.198 | 3 | 5 | ||
| 1.406 | 2 | 3 | ||
| C2H2N2O | Furazan | 1.365 | 1 | 2 |
| 1.365 | 1 | 3 | ||
| C3H3NO | Isoxazole | 1.391 | 4 | 5 |
| CH3NO3 | Methyl nitrate | 1.210 | 1 | 2 |
| 1.201 | 1 | 3 | ||
| 1.373 | 1 | 4 | ||
| N2O4 | Dinitrogen tetroxide | 1.189 | 1 | 3 |
| 1.189 | 1 | 4 | ||
| 1.189 | 2 | 5 | ||
| 1.189 | 2 | 6 | ||
| C2H5NO3 | Nitric acid, ethyl ester | 1.371 | 1 | 2 |
| 1.202 | 1 | 3 | ||
| 1.211 | 1 | 4 | ||
| C4H5NO | Isoxazole, 5-methyl- | 1.384 | 6 | 7 |
| C4H5NO | 3-Methylisoxazole | 1.384 | 6 | 7 |
| C2H6N2O2 | Dimethylnitroamine | 1.222 | 1 | 11 |
| 1.222 | 2 | 11 | ||
| C2H6N2O2 | (E)-Azodioxymethane | 1.268 | 1 | 3 |
| 1.268 | 2 | 4 | ||
| CH3CH(CH3)ONO | Isopropyl nitrite | 1.372 | 11 | 13 |
| 1.180 | 12 | 13 | ||
| C3H7ONO | Propyl nitrite | 1.181 | 5 | 6 |
| 1.383 | 4 | 5 | ||
| C4H11NO | Diethylhydroxylamine | 1.413 | 1 | 2 |
| N2O5 | Dinitrogen pentoxide | 1.188 | 2 | 4 |
| 3.035 | 2 | 6 | ||
| 2.545 | 3 | 5 | ||
| 1.189 | 3 | 7 | ||
| 1.430 | 1 | 2 | ||
| 1.468 | 1 | 3 | ||
| C6H5NO2 | Nitrobenzene | 1.219 | 7 | 8 |
| 1.219 | 7 | 9 |