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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 | |
MP4=FULL/cc-pVTZ
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| 1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.282 | 0.131 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NO+ | nitric oxide cation | 1.086 |
| Highest value | ClONO | chlorine nitrite | 1.566 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| NO | Nitric oxide | 1.141 | 1 | 2 |
| NO+ | nitric oxide cation | 1.086 | 1 | 2 |
| HNO+ | Nitrosyl hydride cation | 1.102 | 2 | 3 |
| NOH | Hydroxyimidogen | 1.328 | 1 | 2 |
| NOH+ | O-protonated nitric oxide | 1.173 | 1 | 2 |
| H2NO | nitroxide | 1.267 | 1 | 2 |
| NH2OH | hydroxylamine | 1.446 | 1 | 2 |
| NH2OH+ | Hydroxylamine cation | 1.289 | 1 | 2 |
| NH3O | Ammonia Oxide | 1.361 | 1 | 2 |
| NH3OH+ | N-protonated hydroxylamine | 1.402 | 1 | 2 |
| NH2OH2+ | protonated hydroxylamine | 1.483 | 1 | 2 |
| N2O- | Nitrous oxide anion | 1.307 | 2 | 3 |
| N2O | Nitrous oxide | 1.189 | 2 | 3 |
| NO2 | Nitrogen dioxide | 1.211 | 1 | 2 |
| 1.211 | 1 | 3 | ||
| NO2+ | Nitrogen dioxide cation | 1.153 | 1 | 2 |
| 1.153 | 1 | 3 | ||
| SNO | Nitrogen oxide sulfide | 1.216 | 1 | 3 |
| HCNO | fulminic acid | 1.199 | 1 | 2 |
| NNOH+ | Nitrous Oxide, O-protonated | 1.266 | 2 | 3 |
| HNNO+ | Nitrous oxide, N-protonated | 1.157 | 2 | 3 |
| NH2NO | Nitrosamide | 1.225 | 1 | 2 |
| CH2NOH | formaldoxime | 1.402 | 2 | 3 |
| CH3NO | nitrosomethane | 1.220 | 2 | 3 |
| CNOH3 | 1,2-oxaziridine | 1.512 | 2 | 3 |
| NO3- | nitrate anion | 1.263 | 1 | 2 |
| 1.263 | 1 | 3 | ||
| 1.263 | 1 | 4 | ||
| NO3+ | nitrogen trioxide cation | 1.148 | 1 | 2 |
| 1.330 | 1 | 3 | ||
| 1.330 | 1 | 4 | ||
| FNO2 | Nitryl fluoride | 1.186 | 1 | 3 |
| 1.186 | 1 | 4 | ||
| FONO | Nitrosyl hypofluorite | 1.156 | 3 | 4 |
| 1.564 | 2 | 3 | ||
| ClONO | chlorine nitrite | 1.158 | 3 | 4 |
| 1.566 | 2 | 3 | ||
| NH2NO2 | nitramide | 1.223 | 2 | 3 |
| 1.223 | 2 | 4 | ||
| CH3NO2 | Methane, nitro- | 1.230 | 2 | 6 |
| 1.230 | 2 | 7 | ||
| CH3CHNOH | Acetaldoxime | 1.411 | 3 | 4 |
| ONONO | Nitrosyl nitrite | 1.166 | 2 | 4 |
| 1.166 | 3 | 5 | ||
| 1.522 | 1 | 2 | ||
| 1.522 | 1 | 3 | ||
| BrONO2 | Bromine nitrate | 1.198 | 3 | 4 |
| 1.196 | 3 | 5 | ||
| 1.549 | 2 | 3 | ||
| HOONO2 | peroxy nitric acid | 1.551 | 1 | 2 |
| 1.199 | 1 | 4 | ||
| 1.196 | 1 | 5 | ||
| C2H2N2O | Furazan | 1.375 | 1 | 2 |
| 1.375 | 1 | 3 | ||
| C2H5NO3 | Nitric acid, ethyl ester | 1.423 | 1 | 2 |
| 1.207 | 1 | 3 | ||
| 1.214 | 1 | 4 |