Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP=FULL/6-31G
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1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.507 | 0.043 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.428 |
Highest value | FOO+ | Fluorine dioxide cation | 1.576 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO | Oxygen monofluoride | 1.428 | 1 | 2 |
HOF | Hypofluorous acid | 1.513 | 1 | 3 |
FOO+ | Fluorine dioxide cation | 1.576 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.513 | 2 | 3 |
FONO | Nitrosyl hypofluorite | 1.503 | 1 | 2 |
CF3OF | Trifluoromethylhypofluorite | 1.510 | 2 | 3 |