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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 103.3 103.8 -0.5
CH3SCH3 Dimethyl sulfide 98.9 99.9 -1.0
C4H4S Thiophene 92.2 91.9 0.3
C3H6S Thietane 76.8 76.7 0.1
C2H4S Thiirane 48.3 47.9 0.4

B3LYP/cc-pV(T+d)Z for aCSC

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


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

  Species Name Difference (degrees)
Most negative difference CH3SCH3 Dimethyl sulfide -1.0
Most positive difference C2H4S Thiirane 0.4