Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/SDD
16 | ||||||||||||||||||||||||||||||||||
14 | ||||||||||||||||||||||||||||||||||
12 | ||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
0.0 | 2.0 | 4.0 | 6.0 | 8.0 | 10.0 | 12.0 | 14.0 | 16.0 | 18.0 | 20.0 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.679 | 3.401 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClF3 | Chlorine trifluoride | 1.702 |
Highest value | ClF+ | clorine monofluoride cation | 16.263 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF- | clorine monofluoride anion | 2.541 | 1 | 2 |
ClF+ | clorine monofluoride cation | 16.263 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.889 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.704 | 1 | 2 |
FClO | chlorosyl fluoride | 1.710 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.702 | 1 | 2 |
1.833 | 1 | 3 | ||
1.833 | 1 | 4 | ||
ClFO3 | Perchloryl fluoride | 1.706 | 1 | 2 |
ClOF3 | Chlorine trifluoride oxide | 1.702 | 1 | 3 |
1.834 | 1 | 4 | ||
1.834 | 1 | 5 | ||
ClF5 | chlorinepentafluoride | 1.778 | 1 | 2 |
1.804 | 1 | 3 | ||
1.804 | 1 | 4 | ||
1.804 | 1 | 5 | ||
1.804 | 1 | 6 |