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18 10 26 16 45

MP3=FULL/aug-cc-pVDZ for rCF

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


Differences greater than 0.045 are in the 0.045 bin. Differences less than -0.015 are in the -0.015 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference C3F6 hexafluoropropene-0.011
Most positive difference CH3F Methyl fluoride0.015

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C3F6 hexafluoropropene 1.329 -0.011
CFCl chlorofluoromethylene 1.320 -0.010
CH2BrF Methane, bromofluoro- 1.375 -0.001
C2H2ClF 1-chloro-1-fluoroethylene 1.341 0.002
CHFClBr fluorochlorobromomethane 1.356 0.004
F2CCCF2 tetrafluoroallene 1.320 0.005
C2H4F2 1,2-difluoroethane 1.390 0.006
CF2CCl2 difluorodichloroethylene 1.315 0.007
CF3Br Bromotrifluoromethane 1.327 0.009
CF Fluoromethylidyne 1.276 0.013
CF2 Difluoromethylene 1.297 0.014
CH2CHCH2F Allyl Fluoride 1.382 0.014
CH3F Methyl fluoride 1.383 0.015