Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HSEh1PBE/6-311G**
6 | |||||||||||||||||||||||||
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0 | |||||||||||||||||||||||||
1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.702 | 0.068 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.560 |
Highest value | ClFH+ | Chlorine fluoride, F-protonated | 1.801 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF | Chlorine monofluoride | 1.662 | 1 | 2 |
ClF+ | clorine monofluoride cation | 1.560 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.801 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.612 | 1 | 2 |
FClO | chlorosyl fluoride | 1.740 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.644 | 1 | 2 |
1.737 | 1 | 3 | ||
1.737 | 1 | 4 | ||
ClO2F | Chloryl fluoride | 1.752 | 1 | 2 |
ClOF3 | Chlorine trifluoride oxide | 1.672 | 1 | 3 |
1.756 | 1 | 4 | ||
1.756 | 1 | 5 |