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/aug-cc-pVDZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.34 | 1.36 | 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.435 | 0.041 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FO | Oxygen monofluoride | 1.357 |
Highest value | FOO+ | Fluorine dioxide cation | 1.495 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FO | Oxygen monofluoride | 1.357 | 1 | 2 |
HOF | Hypofluorous acid | 1.441 | 1 | 3 |
FOO+ | Fluorine dioxide cation | 1.495 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.450 | 2 | 3 |
FONO | Nitrosyl hypofluorite | 1.435 | 1 | 2 |
CF3OF | Trifluoromethylhypofluorite | 1.434 | 2 | 3 |