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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 | |
LSDA/STO-3G
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| 1.34 | 1.35 | 1.36 | 1.37 | 1.38 | 1.39 | 1.40 | 1.41 | 1.42 | 1.43 | 1.44 | 1.45 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.391 | 0.035 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | HCl | Hydrogen chloride | 1.345 |
| Highest value | HCl+ | hydrogen chloride cation | 1.436 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| HCl | Hydrogen chloride | 1.345 | 1 | 2 |
| HCl+ | hydrogen chloride cation | 1.436 | 1 | 2 |
| DCl | Hydrochloric acid-d | 1.345 | 1 | 2 |
| H2Cl+ | dihydrogen monochloride cation | 1.404 | 1 | 2 |
| 1.404 | 1 | 3 | ||
| Cl2H+ | Chlorine, protonated | 1.415 | 2 | 3 |