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 |
HF/aug-cc-pVQZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.30 | 1.32 | 1.34 | 1.36 | 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.364 | 0.053 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.310 |
Highest value | FO- | flourine oxide anion | 1.475 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO- | flourine oxide anion | 1.475 | 1 | 2 |
FO | Oxygen monofluoride | 1.310 | 1 | 2 |
HOF | Hypofluorous acid | 1.362 | 1 | 3 |
FOO+ | Fluorine dioxide cation | 1.330 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.354 | 2 | 3 |
CF3OF | Trifluoromethylhypofluorite | 1.351 | 2 | 3 |