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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
C5H10S 2H-Thiopyran, tetrahydro- 60.8 112.7 -51.9

CISD/6-311G* for dSCCC

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


Differences greater than 5 are in the 5 bin. Differences less than -55 are in the -55 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-55 -50 -45 -40 -35 -30 -25 -20 -15 -10 -5 0 5
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C5H10S 2H-Thiopyran, tetrahydro- -51.9
Most positive difference C5H10S 2H-Thiopyran, tetrahydro- -51.9