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/STO-3G
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
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 |