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/LANL2DZ
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 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.810 | 3.511 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FClH+ | Chlorine fluoride, Cl-protonated | 1.704 |
Highest value | ClF+ | clorine monofluoride cation | 15.447 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClF- | clorine monofluoride anion | 2.538 | 1 | 2 |
ClF+ | clorine monofluoride cation | 15.447 | 1 | 2 |
ClFH+ | Chlorine fluoride, F-protonated | 1.873 | 1 | 2 |
FClH+ | Chlorine fluoride, Cl-protonated | 1.704 | 1 | 2 |
FClO | chlorosyl fluoride | 1.708 | 1 | 2 |
ClF3 | Chlorine trifluoride | 1.708 | 1 | 2 |
1.829 | 1 | 3 | ||
1.829 | 1 | 4 | ||
ClFO3 | Perchloryl fluoride | 1.705 | 1 | 2 |
ClF5 | chlorinepentafluoride | 1.811 | 1 | 2 |
1.798 | 1 | 3 | ||
1.798 | 1 | 4 | ||
1.798 | 1 | 5 | ||
1.798 | 1 | 6 |