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 |
MP2=FULL/6-31G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.52 | 1.53 | 1.54 | 1.55 | 1.56 | 1.57 | 1.58 | 1.59 | 1.60 | 1.61 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.547 | 0.022 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.524 |
Highest value | FOO+ | Fluorine dioxide cation | 1.591 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO- | flourine oxide anion | 1.569 | 1 | 2 |
FO | Oxygen monofluoride | 1.524 | 1 | 2 |
HOF | Hypofluorous acid | 1.528 | 1 | 3 |
FOO+ | Fluorine dioxide cation | 1.591 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.538 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.560 | 3 | 4 |
1.560 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.525 | 1 | 2 |
CF3OF | Trifluoromethylhypofluorite | 1.532 | 2 | 3 |