Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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mPW1PW91/STO-3G
5 | |||||||||||||||||||||||||||||||||||||
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2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.35 | 1.36 | 1.37 | 1.38 | 1.39 | 1.40 | 1.41 | 1.42 | 1.43 | 1.44 | 1.45 | 1.46 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.401 | 0.022 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.356 |
Highest value | FO- | flourine oxide anion | 1.441 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO- | flourine oxide anion | 1.441 | 1 | 2 |
FO | Oxygen monofluoride | 1.356 | 1 | 2 |
HOF | Hypofluorous acid | 1.404 | 1 | 3 |
FOO+ | Fluorine dioxide cation | 1.406 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.384 | 2 | 3 |
FOOF | Perfluoroperoxide | 1.410 | 3 | 4 |
1.410 | 1 | 2 | ||
FONO | Nitrosyl hypofluorite | 1.392 | 1 | 2 |
CF3OF | Trifluoromethylhypofluorite | 1.408 | 2 | 3 |