Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP3/6-31+G**
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1.00 | 1.50 | 2.00 | 2.50 | 3.00 | 3.50 | 4.00 | 4.50 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.586 | 0.767 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | DCl | Hydrochloric acid-d | 1.270 |
Highest value | HCl- | hydrogen chloride anion | 3.753 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HCl- | hydrogen chloride anion | 3.753 | 1 | 2 |
HCl | Hydrogen chloride | 1.271 | 1 | 2 |
HCl+ | hydrogen chloride cation | 1.303 | 1 | 2 |
DCl | Hydrochloric acid-d | 1.270 | 1 | 2 |
H2Cl+ | dihydrogen monochloride cation | 1.389 | 1 | 2 |
1.389 | 1 | 3 | ||
Cl2H+ | Chlorine, protonated | 1.297 | 2 | 3 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.303 | 2 | 3 |
NH4Cl | Ammonium chloride | 1.300 | 2 | 6 |