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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
C2H6O2S Dimethyl sulfone 103.3 103.9 -0.6
CH3SCH3 Dimethyl sulfide 98.9 98.9 0.0
C3H6S3 1,3,5-Trithiane 99.4 98.6 0.8
C2H4S Thiirane 48.3 48.2 0.0
C5H10S 2H-Thiopyran, tetrahydro- 97.6 97.7 -0.1

CISD/6-311G* for aCSC

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


Differences greater than 1.6 are in the 1.6 bin. Differences less than -0.8 are in the -0.8 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
-0.8 -0.6 -0.4 -0.2 0 0.2 0.4 0.6 0.8 1 1.2 1.4 1.6
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C2H6O2S Dimethyl sulfone -0.6
Most positive difference C3H6S3 1,3,5-Trithiane 0.8