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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 | |
ROMP2/cc-pVTZ
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| 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 |
|---|---|
| 1.539 | 0.403 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | H2Cl+ | dihydrogen monochloride cation | 1.304 |
| Highest value | HCl- | hydrogen chloride anion | 2.237 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| HCl- | hydrogen chloride anion | 2.237 | 1 | 2 |
| HCl+ | hydrogen chloride cation | 1.313 | 1 | 2 |
| H2Cl+ | dihydrogen monochloride cation | 1.304 | 1 | 2 |
| 1.304 | 1 | 3 |