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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- 108.5 107.8 0.7
CH3CHF2 Ethane, 1,1-difluoro- 107.4 106.0 1.4
CH2CF2 Ethene, 1,1-difluoro- 110.6 108.9 1.7
CHF2Cl difluorochloromethane 107.0 107.7 -0.7
CHF3 Methane, trifluoro- 108.6 108.1 0.5
CF3Br Bromotrifluoromethane 108.8 107.8 1.0
CF2Cl2 difluorodichloromethane 106.2 107.3 -1.1
CF3Cl Methane, chlorotrifluoro- 108.6 108.3 0.3
CF4 Carbon tetrafluoride 109.5 109.5 -0.0
CF3COOH trifluoroacetic acid 109.4 108.0 1.4
C3F8 perfluoropropane 107.0 108.8 -1.8
C3F8 perfluoropropane 109.3 108.6 0.7
CF2CCl2 difluorodichloroethylene 112.1 110.6 1.5
C2F4 Tetrafluoroethylene 112.4 112.6 -0.2
CF2O Carbonic difluoride 108.0 107.7 0.3
CBrClF2 Methane, bromochlorodifluoro- 106.8 106.9 -0.1
CF3CN Acetonitrile, trifluoro- 109.2 107.8 1.4
C2HF3 Trifluoroethylene 112.0 111.1 0.9
CHF2CHF2 1,1,2,2-tetrafluoroethane 107.4 107.3 0.1
CF3OF Trifluoromethylhypofluorite 109.4 109.7 -0.3
CH3CF3 Ethane, 1,1,1-trifluoro- 106.9 106.4 0.5
F2CCCF2 tetrafluoroallene 108.5 109.0 -0.5
CF2 Difluoromethylene 104.9 103.6 1.2
CF3 Trifluoromethyl radical 110.8 111.6 -0.8
CF3I trifluoroiodomethane 108.4 107.1 1.3

HF/LANL2DZ for aFCF

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


Differences greater than 4 are in the 4 bin. Differences less than -2 are in the -2 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart histogram chart
histogram chart 2 histogram chart 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
-2 -1.5 -1 -0.5 0 0.5 1 1.5 2 2.5 3 3.5 4
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C3F8 perfluoropropane -1.8
Most positive difference CH2CF2 Ethene, 1,1-difluoro- 1.7