Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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wB97X-D/6-311G*
6 | ||||||||||||||||||||||
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1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | ||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.698 | 0.067 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.557 |
Highest value | ClFH+ | Chlorine fluoride, F-protonated | 1.798 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF | Chlorine monofluoride | 1.660 | 1 | 2 |
ClF+ | clorine monofluoride cation | 1.557 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.798 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.611 | 1 | 2 |
FClO | chlorosyl fluoride | 1.731 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.642 | 1 | 2 |
1.732 | 1 | 3 | ||
1.732 | 1 | 4 | ||
ClO2F | Chloryl fluoride | 1.745 | 1 | 2 |
ClOF3 | Chlorine trifluoride oxide | 1.670 | 1 | 3 |
1.749 | 1 | 4 | ||
1.749 | 1 | 5 |