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 |
wB97X-D/aug-cc-pVTZ
10 | |||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.392 | 0.074 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO+ | fluorine monoxide cation | 1.217 |
Highest value | FOO | Dioxygen monofluoride radical | 1.589 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO- | flourine oxide anion | 1.361 | 1 | 2 |
FO | Oxygen monofluoride | 1.330 | 1 | 2 |
FO+ | fluorine monoxide cation | 1.217 | 1 | 2 |
HOF | Hypofluorous acid | 1.408 | 1 | 3 |
F2O | Difluorine monoxide | 1.376 | 1 | 2 |
1.376 | 1 | 3 | ||
FOO | Dioxygen monofluoride radical | 1.589 | 2 | 3 |
FOO+ | Fluorine dioxide cation | 1.422 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.412 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.410 | 3 | 4 |
1.410 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.406 | 1 | 2 |
FNO3 | Fluorine nitrate | 1.387 | 2 | 5 |
CF3OF | Trifluoromethylhypofluorite | 1.379 | 2 | 3 |