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Compare Bonds

18 10 26 16 45

CCSD(T)=FULL/TZVP for rCF

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.040 are in the 0.040 bin. Differences less than -0.020 are in the -0.020 bin.

histogram chart 10
histogram chart 8
histogram chart 6 histogram chart
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.020 -0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CFCl chlorofluoromethylene-0.019
Most positive difference CH2CHCH2F Allyl Fluoride0.029

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CFCl chlorofluoromethylene 1.320 -0.019
C3F6 hexafluoropropene 1.329 -0.016
CH2BrF Methane, bromofluoro- 1.375 -0.011
CF2Cl2 difluorodichloromethane 1.345 -0.010
CHFClBr fluorochlorobromomethane 1.356 -0.005
C2H2ClF 1-chloro-1-fluoroethylene 1.341 -0.005
CHF2CHF2 1,1,2,2-tetrafluoroethane 1.359 -0.003
C2H4F2 1,2-difluoroethane 1.390 -0.001
CF2CCl2 difluorodichloroethylene 1.315 0.002
CF3Br Bromotrifluoromethane 1.327 0.002
CF3COOH trifluoroacetic acid 1.325 0.002
CH2CHF Ethene, fluoro- 1.347 0.003
CF3OF Trifluoromethylhypofluorite 1.319 0.003
CF3Cl Methane, chlorotrifluoro- 1.325 0.003
CH3CHF2 Ethane, 1,1-difluoro- 1.364 0.004
CF Fluoromethylidyne 1.276 0.005
HCCF Fluoroacetylene 1.279 0.006
CF2O Carbonic difluoride 1.312 0.006
CH3F Methyl fluoride 1.383 0.006
CF2 Difluoromethylene 1.297 0.008
FCO Carbonyl fluoride 1.326 0.008
CHF3 Methane, trifluoro- 1.328 0.009
CH2F2 Methane, difluoro- 1.351 0.009
CH2CHCH2F Allyl Fluoride 1.370 0.029