Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD/6-31G(2df,p)
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1.34 | 1.35 | 1.36 | 1.37 | 1.38 | 1.39 | 1.40 | 1.41 | 1.42 | 1.43 | 1.44 | 1.45 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.401 | 0.026 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.342 |
Highest value | FOO+ | Fluorine dioxide cation | 1.438 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO | Oxygen monofluoride | 1.342 | 1 | 2 |
HOF | Hypofluorous acid | 1.419 | 1 | 3 |
F2O | Difluorine monoxide | 1.380 | 1 | 2 |
1.380 | 1 | 3 | ||
FOO+ | Fluorine dioxide cation | 1.438 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.416 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.409 | 3 | 4 |
1.409 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.408 | 1 | 2 |
CF3OF | Trifluoromethylhypofluorite | 1.410 | 2 | 3 |