Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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wB97X-D/aug-cc-pCVTZ
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1.26 | 1.27 | 1.28 | 1.29 | 1.30 | 1.31 | 1.32 | 1.33 | 1.34 | 1.35 | 1.36 | 1.37 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.314 | 0.028 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CF | Fluoromethylidyne | 1.269 |
Highest value | CH2F2 | Methane, difluoro- | 1.354 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CF | Fluoromethylidyne | 1.269 | 1 | 2 |
CF2 | Difluoromethylene | 1.296 | 1 | 2 |
1.296 | 1 | 3 | ||
HCCF | Fluoroacetylene | 1.271 | 1 | 3 |
CH2F2 | Methane, difluoro- | 1.354 | 1 | 4 |
1.354 | 1 | 5 | ||
CF2O | Carbonic difluoride | 1.309 | 2 | 3 |
1.309 | 2 | 4 | ||
CHF3 | Methane, trifluoro- | 1.333 | 1 | 3 |
1.333 | 1 | 4 | ||
1.333 | 1 | 5 |