Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD(T)/aug-cc-pVDZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
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 |
---|---|
1.520 | 0.094 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.377 |
Highest value | FOO+ | Fluorine dioxide cation | 1.662 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO- | flourine oxide anion | 1.552 | 1 | 2 |
FO | Oxygen monofluoride | 1.377 | 1 | 2 |
HOF | Hypofluorous acid | 1.464 | 1 | 3 |
FOO+ | Fluorine dioxide cation | 1.662 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.470 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.627 | 3 | 4 |
1.627 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.452 | 1 | 2 |
CF3OF | Trifluoromethylhypofluorite | 1.453 | 2 | 3 |