Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||||||||||||||
-0.002 | 0.000 | 0.002 | 0.004 | 0.006 | 0.008 | 0.010 | 0.012 | 0.014 | 0.016 | 0.018 | 0.020 | 0.022 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CF2Cl2 | difluorodichloromethane | -0.000 |
Most positive difference | CHF3 | Methane, trifluoro- | 0.023 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CF2Cl2 | difluorodichloromethane | 1.345 | -0.000 |
CHFClBr | fluorochlorobromomethane | 1.356 | 0.001 |
HCCF | Fluoroacetylene | 1.279 | 0.004 |
CH2CHF | Ethene, fluoro- | 1.347 | 0.009 |
C2H4F2 | 1,2-difluoroethane | 1.390 | 0.010 |
CF | Fluoromethylidyne | 1.276 | 0.011 |
CH3F | Methyl fluoride | 1.383 | 0.015 |
CF3Cl | Methane, chlorotrifluoro- | 1.325 | 0.016 |
CH2CHCH2F | Allyl Fluoride | 1.382 | 0.017 |
CH3CHF2 | Ethane, 1,1-difluoro- | 1.364 | 0.019 |
CF2O | Carbonic difluoride | 1.312 | 0.020 |
CH2F2 | Methane, difluoro- | 1.351 | 0.022 |
CF2 | Difluoromethylene | 1.297 | 0.022 |
CHF3 | Methane, trifluoro- | 1.328 | 0.023 |