Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
B3LYP/6-31G(2df,p)
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.34 | 1.36 | 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.438 | 0.056 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.341 |
Highest value | FOO | Dioxygen monofluoride radical | 1.562 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO- | flourine oxide anion | 1.509 | 1 | 2 |
FO | Oxygen monofluoride | 1.341 | 1 | 2 |
HOF | Hypofluorous acid | 1.422 | 1 | 3 |
F2O | Difluorine monoxide | 1.396 | 1 | 2 |
1.396 | 1 | 3 | ||
FOO | Dioxygen monofluoride radical | 1.562 | 2 | 3 |
FOO+ | Fluorine dioxide cation | 1.444 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.421 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.485 | 3 | 4 |
1.485 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.422 | 1 | 2 |
FNO3 | Fluorine nitrate | 1.394 | 2 | 5 |
CF3OF | Trifluoromethylhypofluorite | 1.416 | 2 | 3 |