Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP/6-31G(2df,p)
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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 |
---|---|
1.675 | 0.065 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.547 |
Highest value | ClFH+ | Chlorine fluoride, F-protonated | 1.777 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF | Chlorine monofluoride | 1.631 | 1 | 2 |
ClF+ | clorine monofluoride cation | 1.547 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.777 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.590 | 1 | 2 |
FClO | chlorosyl fluoride | 1.706 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.619 | 1 | 2 |
1.710 | 1 | 3 | ||
1.710 | 1 | 4 | ||
ClO2F | Chloryl fluoride | 1.712 | 1 | 2 |
ClOF3 | Chlorine trifluoride oxide | 1.637 | 1 | 3 |
1.727 | 1 | 4 | ||
1.727 | 1 | 5 |