Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/6-31G
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1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.529 | 0.047 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FOO | Dioxygen monofluoride radical | 1.382 |
Highest value | FOO+ | Fluorine dioxide cation | 1.591 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO- | flourine oxide anion | 1.569 | 1 | 2 |
FO | Oxygen monofluoride | 1.524 | 1 | 2 |
HOF | Hypofluorous acid | 1.528 | 1 | 3 |
F2O | Difluorine monoxide | 1.521 | 1 | 2 |
1.521 | 1 | 3 | ||
FOO | Dioxygen monofluoride radical | 1.382 | 2 | 3 |
FOO+ | Fluorine dioxide cation | 1.591 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.538 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.560 | 3 | 4 |
1.560 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.525 | 1 | 2 |
FNO3 | Fluorine nitrate | 1.526 | 2 | 5 |
CF3OF | Trifluoromethylhypofluorite | 1.532 | 2 | 3 |