Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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SVWN/cc-pVDZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.30 | 1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.440 | 0.239 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HCl | Hydrogen chloride | 1.303 |
Highest value | HCl- | hydrogen chloride anion | 2.067 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HCl- | hydrogen chloride anion | 2.067 | 1 | 2 |
HCl | Hydrogen chloride | 1.303 | 1 | 2 |
HCl+ | hydrogen chloride cation | 1.352 | 1 | 2 |
H2Cl+ | dihydrogen monochloride cation | 1.337 | 1 | 2 |
1.337 | 1 | 3 | ||
Cl2H+ | Chlorine, protonated | 1.345 | 2 | 3 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.353 | 2 | 3 |
NH4Cl | Ammonium chloride | 1.423 | 2 | 6 |