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 |
MP3/6-31G*
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 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.425 | 0.034 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.349 |
Highest value | FO- | flourine oxide anion | 1.498 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO- | flourine oxide anion | 1.498 | 1 | 2 |
FO | Oxygen monofluoride | 1.349 | 1 | 2 |
HOF | Hypofluorous acid | 1.432 | 1 | 3 |
F2O | Difluorine monoxide | 1.408 | 1 | 2 |
1.408 | 1 | 3 | ||
ClOF | Chlorine hypofluorite | 1.430 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.448 | 3 | 4 |
1.448 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.422 | 1 | 2 |
FNO3 | Fluorine nitrate | 1.409 | 2 | 5 |
CF3OF | Trifluoromethylhypofluorite | 1.427 | 2 | 3 |