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 |
mPW1PW91/aug-cc-pVDZ
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 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.416 | 0.044 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.336 |
Highest value | FOOF | Perfluoroperoxide | 1.492 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO | Oxygen monofluoride | 1.336 | 1 | 2 |
HOF | Hypofluorous acid | 1.413 | 1 | 3 |
F2O | Difluorine monoxide | 1.386 | 1 | 2 |
1.386 | 1 | 3 | ||
FOO+ | Fluorine dioxide cation | 1.437 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.415 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.492 | 3 | 4 |
1.492 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.428 | 1 | 2 |
FNO3 | Fluorine nitrate | 1.387 | 2 | 5 |
CF3OF | Trifluoromethylhypofluorite | 1.405 | 2 | 3 |