Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/Def2TZVPP
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.32 | 1.32 | 1.33 | 1.33 | 1.33 | 1.33 | 1.33 | 1.34 | 1.34 | 1.34 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.329 | 0.005 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | H2Cl+ | dihydrogen monochloride cation | 1.324 |
Highest value | HCl+ | hydrogen chloride cation | 1.337 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HCl+ | hydrogen chloride cation | 1.337 | 1 | 2 |
H2Cl+ | dihydrogen monochloride cation | 1.324 | 1 | 2 |
1.324 | 1 | 3 | ||
Cl2H+ | Chlorine, protonated | 1.330 | 2 | 3 |