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18 10 26 16 45

B2PLYP=FULL/3-21G for rCF

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart 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 histogram chart histogram chart
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CFCl chlorofluoromethylene0.005
Most positive difference CF Fluoromethylidyne0.055

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CFCl chlorofluoromethylene 1.320 0.005
CF2Cl2 difluorodichloromethane 1.345 0.007
C2H2ClF 1-chloro-1-fluoroethylene 1.341 0.013
CHFClBr fluorochlorobromomethane 1.356 0.017
CH2BrF Methane, bromofluoro- 1.375 0.018
C3F6 hexafluoropropene 1.329 0.018
C2H4F2 1,2-difluoroethane 1.401 0.022
CF3OF Trifluoromethylhypofluorite 1.319 0.024
CF3Cl Methane, chlorotrifluoro- 1.325 0.025
CF3 Trifluoromethyl radical 1.318 0.027
CF3Br Bromotrifluoromethane 1.327 0.030
CH2CHF Ethene, fluoro- 1.347 0.031
CF2CCl2 difluorodichloroethylene 1.315 0.031
HCCF Fluoroacetylene 1.279 0.032
CH3CHF2 Ethane, 1,1-difluoro- 1.364 0.035
F2CCCF2 tetrafluoroallene 1.320 0.035
CH2FI fluoroiodomethane 1.362 0.036
CF3COOH trifluoroacetic acid 1.325 0.038
CH3F Methyl fluoride 1.383 0.038
CHF3 Methane, trifluoro- 1.328 0.040
CF2O Carbonic difluoride 1.312 0.041
CH2F2 Methane, difluoro- 1.351 0.042
CH2CHCH2F Allyl Fluoride 1.382 0.043
FCO Carbonyl fluoride 1.326 0.050
CF2 Difluoromethylene 1.297 0.054
CF Fluoromethylidyne 1.276 0.055