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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
SOCl2 thionyl chloride 96.1 100.6 -4.5
SO2Cl2 Sulfuryl chloride 96.1 101.1 -5.0
SCl2 Sulfur dichloride 102.7 105.5 -2.8

B97D3/6-311G** for aClSCl

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


Differences greater than 0.5 are in the 0.5 bin. Differences less than -5.5 are in the -5.5 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
-5.5 -5 -4.5 -4 -3.5 -3 -2.5 -2 -1.5 -1 -0.5 0 0.5
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference SO2Cl2 Sulfuryl chloride -5.0
Most positive difference SCl2 Sulfur dichloride -2.8