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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH2Cl2 Methylene chloride 112.1 111.8 0.3
CH2F2 Methane, difluoro- 112.8 113.1 -0.3
C2H4F2 1,2-difluoroethane 110.0 110.5 -0.5
C2H4F2 1,2-difluoroethane 109.1 109.8 -0.7

CISD/Sadlej_pVTZ for aHCH

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


Differences greater than 0.5 are in the 0.5 bin. Differences less than -0.7 are in the -0.7 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
-0.7 -0.6 -0.5 -0.4 -0.3 -0.2 -9.99999999999999E-02 1.11022302462516E-16 0.1 0.2 0.3 0.4 0.5
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C2H4F2 1,2-difluoroethane -0.7
Most positive difference CH2Cl2 Methylene chloride 0.3