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/6-31G(2df,p)
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
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1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.32 | 1.34 | 1.36 | 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.408 | 0.038 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.326 |
Highest value | FOOF | Perfluoroperoxide | 1.457 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO | Oxygen monofluoride | 1.326 | 1 | 2 |
HOF | Hypofluorous acid | 1.402 | 1 | 3 |
FOO+ | Fluorine dioxide cation | 1.417 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.402 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.457 | 3 | 4 |
1.457 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.406 | 1 | 2 |
CF3OF | Trifluoromethylhypofluorite | 1.397 | 2 | 3 |