Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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TPSSh/6-31+G**
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1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.714 | 0.085 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF+ | clorine monofluoride cation | 1.547 |
Highest value | ClF- | clorine monofluoride anion | 1.959 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF- | clorine monofluoride anion | 1.959 | 1 | 2 |
ClF | Chlorine monofluoride | 1.650 | 1 | 2 |
ClF+ | clorine monofluoride cation | 1.547 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.796 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.622 | 1 | 2 |
FClO | chlorosyl fluoride | 1.755 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.657 | 1 | 2 |
1.749 | 1 | 3 | ||
1.749 | 1 | 4 | ||
ClO2F | Chloryl fluoride | 1.779 | 1 | 2 |
ClFO3 | Perchloryl fluoride | 1.693 | 1 | 2 |
ClOF3 | Chlorine trifluoride oxide | 1.691 | 1 | 3 |
1.775 | 1 | 4 | ||
1.775 | 1 | 5 | ||
ClF5 | chlorinepentafluoride | 1.639 | 1 | 2 |
1.682 | 1 | 3 | ||
1.682 | 1 | 4 | ||
1.682 | 1 | 5 | ||
1.682 | 1 | 6 |