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=FULL/3-21G
5 | |||||||||||||||||||||||||||||||||||||
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1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.414 | 0.153 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | H2Cl+ | dihydrogen monochloride cation | 1.340 |
Highest value | NH4Cl | Ammonium chloride | 1.757 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HCl+ | hydrogen chloride cation | 1.354 | 1 | 2 |
H2Cl+ | dihydrogen monochloride cation | 1.340 | 1 | 2 |
1.340 | 1 | 3 | ||
Cl2H+ | Chlorine, protonated | 1.345 | 2 | 3 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.349 | 2 | 3 |
NH4Cl | Ammonium chloride | 1.757 | 2 | 6 |