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/CEP-121G*
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1.42 | 1.43 | 1.44 | 1.45 | 1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | 1.54 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.469 | 0.035 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | F2O | Difluorine monoxide | 1.430 |
Highest value | FOOF | Perfluoroperoxide | 1.524 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO- | flourine oxide anion | 1.507 | 1 | 2 |
FO | Oxygen monofluoride | 1.509 | 1 | 2 |
HOF | Hypofluorous acid | 1.452 | 1 | 3 |
F2O | Difluorine monoxide | 1.430 | 1 | 2 |
1.430 | 1 | 3 | ||
FOO+ | Fluorine dioxide cation | 1.460 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.463 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.524 | 3 | 4 |
1.524 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.446 | 1 | 2 |
FNO3 | Fluorine nitrate | 1.439 | 2 | 5 |
CF3OF | Trifluoromethylhypofluorite | 1.447 | 2 | 3 |