Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | 0.040 | 0.045 | 0.050 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | C3F6 | hexafluoropropene | -0.007 |
Most positive difference | FCO | Carbonyl fluoride | 0.025 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
C3F6 | hexafluoropropene | 1.329 | -0.007 |
CFCl | chlorofluoromethylene | 1.320 | -0.001 |
CF2Cl2 | difluorodichloromethane | 1.345 | 0.001 |
CH2BrF | Methane, bromofluoro- | 1.375 | 0.004 |
C2H2ClF | 1-chloro-1-fluoroethylene | 1.341 | 0.007 |
CHF2CHF2 | 1,1,2,2-tetrafluoroethane | 1.359 | 0.007 |
CHFClBr | fluorochlorobromomethane | 1.356 | 0.009 |
F2CCCF2 | tetrafluoroallene | 1.320 | 0.009 |
CF2CCl2 | difluorodichloroethylene | 1.315 | 0.010 |
C2H4F2 | 1,2-difluoroethane | 1.390 | 0.011 |
CF3OF | Trifluoromethylhypofluorite | 1.319 | 0.013 |
CF3Br | Bromotrifluoromethane | 1.327 | 0.013 |
CF3Cl | Methane, chlorotrifluoro- | 1.325 | 0.013 |
CF2O | Carbonic difluoride | 1.312 | 0.015 |
CH2CHF | Ethene, fluoro- | 1.347 | 0.015 |
CH3CHF2 | Ethane, 1,1-difluoro- | 1.364 | 0.016 |
HCCF | Fluoroacetylene | 1.279 | 0.017 |
CHF3 | Methane, trifluoro- | 1.328 | 0.019 |
CH2CHCH2F | Allyl Fluoride | 1.382 | 0.020 |
CH2F2 | Methane, difluoro- | 1.351 | 0.021 |
CF2 | Difluoromethylene | 1.297 | 0.022 |
CF | Fluoromethylidyne | 1.276 | 0.023 |
FCO | Carbonyl fluoride | 1.326 | 0.025 |