Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.030 | -0.025 | -0.020 | -0.015 | -0.010 | -0.005 | -0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CFCl | chlorofluoromethylene | -0.026 |
Most positive difference | CH2F2 | Methane, difluoro- | 0.002 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CFCl | chlorofluoromethylene | 1.320 | -0.026 |
CF2Cl2 | difluorodichloromethane | 1.345 | -0.017 |
C2H4F2 | 1,2-difluoroethane | 1.390 | -0.009 |
CH2CHF | Ethene, fluoro- | 1.347 | -0.006 |
CF | Fluoromethylidyne | 1.276 | -0.005 |
CF3Cl | Methane, chlorotrifluoro- | 1.325 | -0.004 |
HCCF | Fluoroacetylene | 1.279 | -0.003 |
CF2O | Carbonic difluoride | 1.312 | -0.003 |
FCO | Carbonyl fluoride | 1.326 | -0.002 |
CH3F | Methyl fluoride | 1.383 | -0.002 |
CF2 | Difluoromethylene | 1.297 | -0.000 |
CHF3 | Methane, trifluoro- | 1.328 | 0.002 |
CH2F2 | Methane, difluoro- | 1.351 | 0.002 |