Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B97D3/cc-pVQZ
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1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.685 | 0.089 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.558 |
Highest value | ClFH+ | Chlorine fluoride, F-protonated | 1.797 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF | Chlorine monofluoride | 1.652 | 1 | 2 |
ClF+ | clorine monofluoride cation | 1.558 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.797 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.595 | 1 | 2 |
FClO | chlorosyl fluoride | 1.737 | 1 | 2 |
ClO2F | Chloryl fluoride | 1.769 | 1 | 2 |