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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 103.3 103.6 -0.3
CH3SCH3 Dimethyl sulfide 98.9 98.5 0.4
C3H6S Thietane 76.8 76.3 0.5
C3H6S3 1,3,5-Trithiane 99.4 97.8 1.6
C2H4S Thiirane 48.3 48.2 0.1
CH3SCH2CH3 Ethane, (methylthio)- 99.0 98.7 0.3
C5H10S 2H-Thiopyran, tetrahydro- 97.6 97.2 0.4
C4H6S Thiophene, 2,5-dihydro- 96.5 94.5 2.0

QCISD/6-311G* for aCSC

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


Differences greater than 2 are in the 2 bin. Differences less than -0.4 are in the -0.4 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.4 -0.2 0 0.2 0.4 0.6 0.8 1 1.2 1.4 1.6 1.8 2
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C2H6O2S Dimethyl sulfone -0.3
Most positive difference C4H6S Thiophene, 2,5-dihydro- 2.0