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18 10 26 16 25

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Species Name Experimental Angle Calculated Angle Difference
CH2F2 Methane, difluoro- 108.5 108.3 0.1
CH3CHF2 Ethane, 1,1-difluoro- 107.4 106.8 0.6
CH2CF2 Ethene, 1,1-difluoro- 110.6 111.6 -1.0
CHF3 Methane, trifluoro- 108.6 108.4 0.2
CF3Br Bromotrifluoromethane 108.8 108.7 0.1
CF2Cl2 difluorodichloromethane 106.2 108.0 -1.7
CF3Cl Methane, chlorotrifluoro- 108.6 108.7 -0.1
CF3COOH trifluoroacetic acid 109.4 108.8 0.6
CF2CCl2 difluorodichloroethylene 112.1 111.6 0.5
CF2O Carbonic difluoride 108.0 107.9 0.1
CHF2CHF2 1,1,2,2-tetrafluoroethane 107.4 108.3 -0.9
CF3OF Trifluoromethylhypofluorite 109.4 110.3 -0.9
F2CCCF2 tetrafluoroallene 108.5 109.3 -0.8
CF2 Difluoromethylene 104.9 104.4 0.4

M06-2X/cc-pVTZ for aFCF

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


Differences greater than 0.600000000000001 are in the 0.600000000000001 bin. Differences less than -1.8 are in the -1.8 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-1.8 -1.6 -1.4 -1.2 -1 -0.8 -0.6 -0.4 -0.2 2.22044604925031E-16 0.2 0.4 0.600000000000001
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CF2Cl2 difluorodichloromethane -1.7
Most positive difference CH3CHF2 Ethane, 1,1-difluoro- 0.6