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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- 108.9 109.0 -0.1
CHF3 Methane, trifluoro- 110.3 110.5 -0.1
C2H4F2 1,2-difluoroethane 108.2 109.6 -1.4
C2H4F2 1,2-difluoroethane 109.6 108.2 1.4
C2H4F2 1,2-difluoroethane 107.8 108.2 -0.4

HF/Sadlej_pVTZ for aHCF

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 2
histogram chart 0 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 C2H4F2 1,2-difluoroethane -1.4
Most positive difference C2H4F2 1,2-difluoroethane 1.4