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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CF3Br Bromotrifluoromethane 108.8 108.6 0.2
CF2CCl2 difluorodichloroethylene 112.1 111.5 0.6
CHF2CHF2 1,1,2,2-tetrafluoroethane 107.4 108.3 -0.9
F2CCCF2 tetrafluoroallene 108.5 109.8 -1.3
CF2 Difluoromethylene 104.9 104.8 0.0
CF3OF Trifluoromethylhypofluorite 109.4 110.1 -0.7
CF2O Carbonic difluoride 108.0 108.0 -0.0
CF3COOH trifluoroacetic acid 109.4 108.7 0.7
CF3Cl Methane, chlorotrifluoro- 108.6 108.6 0.0
CF2Cl2 difluorodichloromethane 106.2 107.7 -1.5
CHF3 Methane, trifluoro- 108.6 108.5 0.1
CH3CHF2 Ethane, 1,1-difluoro- 107.4 106.9 0.5
CH2F2 Methane, difluoro- 108.5 108.5 -0.0

CCD/TZVP for aFCF

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


Differences greater than 0.8 are in the 0.8 bin. Differences less than -1.6 are in the -1.6 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 histogram chart histogram chart histogram chart
-1.6 -1.4 -1.2 -1 -0.8 -0.6 -0.4 -0.2 2.22044604925031E-16 0.2 0.4 0.6 0.8
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CF2Cl2 difluorodichloromethane -1.5
Most positive difference CF3COOH trifluoroacetic acid 0.7