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/STO-3G
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.35 | 1.36 | 1.36 | 1.37 | 1.37 | 1.38 | 1.38 | 1.39 | 1.39 | 1.40 | 1.40 | 1.41 | 1.41 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.395 | 0.017 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.359 |
Highest value | CF3OF | Trifluoromethylhypofluorite | 1.412 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO | Oxygen monofluoride | 1.359 | 1 | 2 |
HOF | Hypofluorous acid | 1.406 | 1 | 3 |
FOO+ | Fluorine dioxide cation | 1.401 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.394 | 2 | 3 |
FONO | Nitrosyl hypofluorite | 1.400 | 1 | 2 |
CF3OF | Trifluoromethylhypofluorite | 1.412 | 2 | 3 |