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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH3CSNH2 Ethanethioamide 122.9 123.6 -0.7
CH3CH2SH ethanethiol 108.6 110.4 -1.8
CH3CH2SH ethanethiol 113.6 113.7 -0.1
C2H4S Thiirane 65.9 65.8 0.0
C4H6S Thiophene, 2,5-dihydro- 105.0 106.0 -1.0
CH3CHS Thioacetaldehyde 125.3 126.3 -1.0

CCD/6-311G* for aCCS

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


Differences greater than 0.400000000000001 are in the 0.400000000000001 bin. Differences less than -2 are in the -2 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
-2 -1.8 -1.6 -1.4 -1.2 -1 -0.8 -0.6 -0.4 -0.2 2.22044604925031E-16 0.2 0.400000000000001
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH3CH2SH ethanethiol -1.8
Most positive difference C2H4S Thiirane 0.0