Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/cc-pVTZ
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.32 | 1.34 | 1.36 | 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.416 | 0.045 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.332 |
Highest value | FO- | flourine oxide anion | 1.500 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO- | flourine oxide anion | 1.500 | 1 | 2 |
FO | Oxygen monofluoride | 1.332 | 1 | 2 |
HOF | Hypofluorous acid | 1.409 | 1 | 3 |
F2O | Difluorine monoxide | 1.383 | 1 | 2 |
1.383 | 1 | 3 | ||
FOO+ | Fluorine dioxide cation | 1.428 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.413 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.472 | 3 | 4 |
1.472 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.411 | 1 | 2 |
FNO3 | Fluorine nitrate | 1.383 | 2 | 5 |
CF3OF | Trifluoromethylhypofluorite | 1.401 | 2 | 3 |