Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD(T)/aug-cc-pVTZ
5 | ||||||||||||||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||||||||||||||
1.36 | 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.488 | 0.071 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.365 |
Highest value | FOO+ | Fluorine dioxide cation | 1.576 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO- | flourine oxide anion | 1.525 | 1 | 2 |
FO | Oxygen monofluoride | 1.365 | 1 | 2 |
HOF | Hypofluorous acid | 1.442 | 1 | 3 |
FOO+ | Fluorine dioxide cation | 1.576 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.451 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.558 | 3 | 4 |
1.558 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.432 | 1 | 2 |