Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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M06-2X/6-31G
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.40 | 1.41 | 1.42 | 1.43 | 1.44 | 1.45 | 1.46 | 1.47 | 1.48 | 1.49 | 1.50 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.460 | 0.023 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.404 |
Highest value | FOO+ | Fluorine dioxide cation | 1.482 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO | Oxygen monofluoride | 1.404 | 1 | 2 |
HOF | Hypofluorous acid | 1.466 | 1 | 3 |
FOO+ | Fluorine dioxide cation | 1.482 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.459 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.475 | 3 | 4 |
1.475 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.460 | 1 | 2 |
CF3OF | Trifluoromethylhypofluorite | 1.460 | 2 | 3 |