Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B97D3/6-31G
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1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.850 | 0.097 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.717 |
Highest value | ClO2F | Chloryl fluoride | 1.988 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF | Chlorine monofluoride | 1.786 | 1 | 2 |
ClF+ | clorine monofluoride cation | 1.717 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.909 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.772 | 1 | 2 |
FClO | chlorosyl fluoride | 1.930 | 1 | 2 |
ClO2F | Chloryl fluoride | 1.988 | 1 | 2 |