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Compare Angles

18 10 26 16 25

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Species Name Experimental Angle Calculated Angle Difference
CH2F2 Methane, difluoro- 108.5 107.9 0.6
CH3CHF2 Ethane, 1,1-difluoro- 107.4 106.0 1.4
CH2CF2 Ethene, 1,1-difluoro- 110.6 109.3 1.3
CHF2Cl difluorochloromethane 107.0 107.1 -0.1
CHF3 Methane, trifluoro- 108.6 108.0 0.6
CF3Br Bromotrifluoromethane 108.8 107.3 1.5
CF2Cl2 difluorodichloromethane 106.2 106.2 0.1
CF3Cl Methane, chlorotrifluoro- 108.6 107.6 1.0
CF4 Carbon tetrafluoride 109.5 109.5 -0.0
CF3COOH trifluoroacetic acid 109.4 107.7 1.7
C3F8 perfluoropropane 107.0 108.2 -1.2
C3F8 perfluoropropane 109.3 108.5 0.8
CF2CCl2 difluorodichloroethylene 112.1 111.2 0.9
C2F4 Tetrafluoroethylene 112.4 113.3 -0.9
CF2O Carbonic difluoride 108.0 106.2 1.8
CBrClF2 Methane, bromochlorodifluoro- 106.8 105.9 0.9
CF3CN Acetonitrile, trifluoro- 109.2 107.6 1.7
C2HF3 Trifluoroethylene 112.0 111.8 0.2
CHF2CHF2 1,1,2,2-tetrafluoroethane 107.4 107.2 0.2
CF3OF Trifluoromethylhypofluorite 109.4 109.8 -0.4
CH3CF3 Ethane, 1,1,1-trifluoro- 106.9 106.2 0.7
F2CCCF2 tetrafluoroallene 108.5 109.0 -0.5
CF2 Difluoromethylene 104.9 103.0 1.9
CF3 Trifluoromethyl radical 110.8 110.9 -0.1
CF3I trifluoroiodomethane 108.4 106.8 1.6

MP2/CEP-31G for aFCF

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


Differences greater than 4.5 are in the 4.5 bin. Differences less than -1.5 are in the -1.5 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 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-1.5 -1 -0.5 0 0.5 1 1.5 2 2.5 3 3.5 4 4.5
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C3F8 perfluoropropane -1.2
Most positive difference CF2 Difluoromethylene 1.9