Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/6-311G*
12 | ||||||||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.00 | 1.50 | 2.00 | 2.50 | 3.00 | 3.50 | 4.00 | 4.50 | 5.00 | 5.50 | 6.00 | 6.50 | 7.00 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.810 | 1.492 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FOO+ | Fluorine dioxide cation | 1.333 |
Highest value | FO | Oxygen monofluoride | 6.757 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO- | flourine oxide anion | 1.497 | 1 | 2 |
FO | Oxygen monofluoride | 6.757 | 1 | 2 |
HOF | Hypofluorous acid | 1.362 | 1 | 3 |
F2O | Difluorine monoxide | 1.334 | 1 | 2 |
1.334 | 1 | 3 | ||
FOO+ | Fluorine dioxide cation | 1.333 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.353 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.354 | 3 | 4 |
1.354 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.351 | 1 | 2 |
FNO3 | Fluorine nitrate | 1.335 | 2 | 5 |
CF3OF | Trifluoromethylhypofluorite | 1.352 | 2 | 3 |