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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH2CHF Ethene, fluoro- 120.8 122.1 -1.3
CH3CHF2 Ethane, 1,1-difluoro- 110.7 110.4 0.3
F2CCCF2 tetrafluoroallene 125.8 125.5 0.3
C2H4F2 1,2-difluoroethane 110.6 110.9 -0.3
CH2CHCH2F Allyl Fluoride 111.7 123.8 -12.1
CH2CHCH2F Allyl Fluoride 110.9 110.1 0.8
C2H2ClF 1-chloro-1-fluoroethylene 121.8 122.6 -0.9
CH3CHFCH3 2-Fluoropropane 108.1 107.9 0.2
HCCF Fluoroacetylene 180.0 180.0 0.0
C3F6 hexafluoropropene 110.3 112.2 -1.9
C3F6 hexafluoropropene 120.0 128.1 -8.1
C3F6 hexafluoropropene 123.9 122.4 1.5

BLYP/6-311+G(3df,2p) for aCCF

Histogram of angle differences (in degrees) vs number of species


Differences greater than 10 are in the 10 bin. Differences less than -14 are in the -14 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-14 -12 -10 -8 -6 -4 -2 0 2 4 6 8 10
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH2CHCH2F Allyl Fluoride -12.1
Most positive difference C3F6 hexafluoropropene 1.5