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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 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
-0.005 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 C3F6 hexafluoropropene0.018
Most positive difference CF Fluoromethylidyne0.055

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C3F6 hexafluoropropene 1.329 0.018
C2H4F2 1,2-difluoroethane 1.401 0.022
CF2Cl2 difluorodichloromethane 1.345 0.022
CH2BrF Methane, bromofluoro- 1.375 0.022
C2H2ClF 1-chloro-1-fluoroethylene 1.341 0.022
CFCl chlorofluoromethylene 1.320 0.023
CHFClBr fluorochlorobromomethane 1.356 0.029
CH2CHF Ethene, fluoro- 1.347 0.031
CF2CCl2 difluorodichloroethylene 1.315 0.031
HCCF Fluoroacetylene 1.279 0.032
CF3Cl Methane, chlorotrifluoro- 1.325 0.033
CF3Br Bromotrifluoromethane 1.327 0.033
CF3OF Trifluoromethylhypofluorite 1.319 0.034
CH3CHF2 Ethane, 1,1-difluoro- 1.364 0.035
F2CCCF2 tetrafluoroallene 1.320 0.035
CH2FI fluoroiodomethane 1.362 0.037
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