Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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AM1
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.67 | 1.67 | 1.67 | 1.67 | 1.68 | 1.68 | 1.68 | 1.68 | 1.68 | 1.69 | 1.69 | 1.69 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.678 | 0.009 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FClH+ | Chlorine fluoride, Cl-protonated | 1.669 |
Highest value | ClFH+ | Chlorine fluoride, F-protonated | 1.687 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClFH+ | Chlorine fluoride, F-protonated | 1.687 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.669 | 1 | 2 |