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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH2F2 Methane, difluoro- 108.5 108.8 -0.3
CH3CHF2 Ethane, 1,1-difluoro- 107.4 107.4 0.0
CH2CF2 Ethene, 1,1-difluoro- 110.6 109.7 0.9
CHF2Cl difluorochloromethane 107.0 108.5 -1.5
CHF3 Methane, trifluoro- 108.6 108.4 0.2
CF3Br Bromotrifluoromethane 108.8 109.0 -0.2
CF2Cl2 difluorodichloromethane 106.2 108.3 -2.1
CF3Cl Methane, chlorotrifluoro- 108.6 108.9 -0.3
CF4 Carbon tetrafluoride 109.5 109.5 -0.0
CF3COOH trifluoroacetic acid 109.4 109.0 0.4
C3F8 perfluoropropane 107.0 109.6 -2.6
C3F8 perfluoropropane 109.3 109.1 0.2
CF2CCl2 difluorodichloroethylene 112.1 112.2 -0.1
C2F4 Tetrafluoroethylene 112.4 119.8 -7.4
CF2O Carbonic difluoride 108.0 107.9 0.1
CF3CN Acetonitrile, trifluoro- 109.2 108.9 0.3
C2HF3 Trifluoroethylene 112.0 112.2 -0.2
CHF2CHF2 1,1,2,2-tetrafluoroethane 107.4 108.8 -1.4
CF3OF Trifluoromethylhypofluorite 109.4 110.3 -0.9
CH3CF3 Ethane, 1,1,1-trifluoro- 106.9 107.3 -0.3
F2CCCF2 tetrafluoroallene 108.5 109.4 -0.9
CF2 Difluoromethylene 104.9 103.8 1.0
CF3 Trifluoromethyl radical 110.8 111.1 -0.3

M06-2X/6-31G* for aFCF

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


Differences greater than 4 are in the 4 bin. Differences less than -8 are in the -8 bin.

histogram chart 14
histogram chart 12 histogram chart
histogram chart 10 histogram chart
histogram chart 8 histogram chart
histogram chart 6 histogram chart
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-8 -7 -6 -5 -4 -3 -2 -1 0 1 2 3 4
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C2F4 Tetrafluoroethylene -7.4
Most positive difference CF2 Difluoromethylene 1.0