Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/6-31G(2df,p)
6 | ||||||||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.20 | 1.40 | 1.60 | 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.471 | 0.477 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HCl | Hydrogen chloride | 1.274 |
Highest value | HCl- | hydrogen chloride anion | 2.821 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HCl- | hydrogen chloride anion | 2.821 | 1 | 2 |
HCl | Hydrogen chloride | 1.274 | 1 | 2 |
HCl+ | hydrogen chloride cation | 1.312 | 1 | 2 |
DCl | Hydrochloric acid-d | 1.274 | 1 | 2 |
H2Cl+ | dihydrogen monochloride cation | 1.304 | 1 | 2 |
1.304 | 1 | 3 | ||
Cl2H+ | Chlorine, protonated | 1.308 | 2 | 3 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.312 | 2 | 3 |
NH4Cl | Ammonium chloride | 1.332 | 2 | 6 |