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=FULL/6-31+G**
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1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.491 | 0.092 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FOO | Dioxygen monofluoride radical | 1.385 |
Highest value | FOOF | Perfluoroperoxide | 1.694 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO- | flourine oxide anion | 1.505 | 1 | 2 |
FO | Oxygen monofluoride | 1.510 | 1 | 2 |
HOF | Hypofluorous acid | 1.452 | 1 | 3 |
F2O | Difluorine monoxide | 1.430 | 1 | 2 |
1.430 | 1 | 3 | ||
FOO | Dioxygen monofluoride radical | 1.385 | 2 | 3 |
FOO+ | Fluorine dioxide cation | 1.487 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.468 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.694 | 3 | 4 |
1.694 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.446 | 1 | 2 |
FNO3 | Fluorine nitrate | 1.440 | 2 | 5 |
CF3OF | Trifluoromethylhypofluorite | 1.448 | 2 | 3 |