Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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SVWN/aug-cc-pVTZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
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2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.30 | 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 |
---|---|
1.484 | 0.106 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.332 |
Highest value | FONO | Nitrosyl hypofluorite | 1.692 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO | Oxygen monofluoride | 1.332 | 1 | 2 |
HOF | Hypofluorous acid | 1.413 | 1 | 3 |
FOO+ | Fluorine dioxide cation | 1.481 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.437 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.554 | 3 | 4 |
1.554 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.692 | 1 | 2 |
CF3OF | Trifluoromethylhypofluorite | 1.410 | 2 | 3 |