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/aug-cc-pVTZ
5 | |||||||||||||||||||||||||||||||
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0 | |||||||||||||||||||||||||||||||
1.32 | 1.34 | 1.36 | 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.419 | 0.037 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.334 |
Highest value | FO- | flourine oxide anion | 1.479 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO- | flourine oxide anion | 1.479 | 1 | 2 |
FO | Oxygen monofluoride | 1.334 | 1 | 2 |
HOF | Hypofluorous acid | 1.428 | 1 | 3 |
F2O | Difluorine monoxide | 1.388 | 1 | 2 |
1.388 | 1 | 3 | ||
FOO+ | Fluorine dioxide cation | 1.464 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.441 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.421 | 3 | 4 |
1.421 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.419 | 1 | 2 |
CF3OF | Trifluoromethylhypofluorite | 1.422 | 2 | 3 |