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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 | |
CCD/6-311G**
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| 1.20 | 1.30 | 1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.432 | 0.348 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | HCl | Hydrogen chloride | 1.275 |
| Highest value | HCl- | hydrogen chloride anion | 2.352 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| HCl- | hydrogen chloride anion | 2.352 | 1 | 2 |
| HCl | Hydrogen chloride | 1.275 | 1 | 2 |
| HCl+ | hydrogen chloride cation | 1.311 | 1 | 2 |
| H2Cl+ | dihydrogen monochloride cation | 1.301 | 1 | 2 |
| 1.301 | 1 | 3 | ||
| Cl2H+ | Chlorine, protonated | 1.301 | 2 | 3 |
| FClH+ | Chlorine fluoride, Cl-protonated | 1.307 | 2 | 3 |
| NH4Cl | Ammonium chloride | 1.308 | 2 | 6 |