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18 10 26 16 45

TPSSh/6-31+G** for rCF

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


Differences greater than 0.550 are in the 0.550 bin. Differences less than -0.050 are in the -0.050 bin.

histogram chart 40
histogram chart 35 histogram chart
histogram chart 30 histogram chart
histogram chart 25 histogram chart
histogram chart 20 histogram chart
histogram chart 15 histogram chart
histogram chart 10 histogram chart
histogram chart 5 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart
-0.050 0.000 0.050 0.100 0.150 0.200 0.250 0.300 0.350 0.400 0.450 0.500 0.550
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference C3F6 hexafluoropropene-0.008
Most positive difference CH3CF3 Ethane, 1,1,1-trifluoro-0.325

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C3F6 hexafluoropropene 1.329 -0.008
CFCl chlorofluoromethylene 1.320 -0.005
C2H5F fluoroethane 1.398 -0.004
CH2FCl fluorochloromethane 1.370 -0.004
CH2BrF Methane, bromofluoro- 1.375 -0.000
CFCl3 Trichloromonofluoromethane 1.345 -0.000
C6H5F Fluorobenzene 1.354 0.000
CF2Cl2 difluorodichloromethane 1.345 0.001
C2H2ClF 1-chloro-1-fluoroethylene 1.341 0.004
CHF2Cl difluorochloromethane 1.350 0.004
CH2CF2 Ethene, 1,1-difluoro- 1.315 0.004
CHFClBr fluorochlorobromomethane 1.356 0.005
C2H2F2 Ethene, 1,2-difluoro-, (E)- 1.344 0.006
C2HF3 Trifluoroethylene 1.342 0.007
CF3Br Bromotrifluoromethane 1.327 0.008
CF Fluoromethylidyne 1.276 0.009
C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1.335 0.010
CF2CCl2 difluorodichloroethylene 1.315 0.010
FCN Cyanogen fluoride 1.262 0.010
HCCF Fluoroacetylene 1.279 0.011
HCF Fluoromethylene 1.305 0.011
F2CCCF2 tetrafluoroallene 1.320 0.011
C2H4F2 1,2-difluoroethane 1.390 0.012
CH2CHF Ethene, fluoro- 1.347 0.012
CF2 Difluoromethylene 1.297 0.013
C2HF3 Trifluoroethylene 1.316 0.013
CF3Cl Methane, chlorotrifluoro- 1.325 0.015
CF3OF Trifluoromethylhypofluorite 1.319 0.015
CF2O Carbonic difluoride 1.312 0.017
CH3F Methyl fluoride 1.383 0.018
HFCO formyl fluoride 1.338 0.019
CH3CHF2 Ethane, 1,1-difluoro- 1.364 0.019
FCO Carbonyl fluoride 1.326 0.020
CF4 Carbon tetrafluoride 1.315 0.020
CHF3 Methane, trifluoro- 1.328 0.022
CH2F2 Methane, difluoro- 1.351 0.022
CH3COF Acetyl fluoride 1.348 0.023
C6F6 hexafluorobenzene 1.325 0.026
C2F6 hexafluoroethane 1.320 0.026
C3F8 perfluoropropane 1.330 0.033
CH2CHCH2F Allyl Fluoride 1.370 0.046
CF3CN Acetonitrile, trifluoro- 1.328 0.101
C2F4 Tetrafluoroethylene 1.319 0.107
CF3 Trifluoromethyl radical 1.318 0.113
CH3CF3 Ethane, 1,1,1-trifluoro- 1.340 0.325