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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 |
CID/daug-cc-pVTZ
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1.27 | 1.27 | 1.28 | 1.28 | 1.29 | 1.29 | 1.30 | 1.30 | 1.31 | 1.31 | 1.32 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.295 | 0.016 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HCl | Hydrogen chloride | 1.273 |
Highest value | HCl+ | hydrogen chloride cation | 1.313 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HCl- | hydrogen chloride anion | 1.278 | 1 | 2 |
HCl | Hydrogen chloride | 1.273 | 1 | 2 |
HCl+ | hydrogen chloride cation | 1.313 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.306 | 2 | 3 |
NH4Cl | Ammonium chloride | 1.303 | 2 | 6 |