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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CS2 Carbon disulfide 180.0 180.0 0.0
C3H6S3 1,3,5-Trithiane 116.5 116.4 0.0

MP4=FULL/6-31G* for aSCS

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


Differences greater than 0.011 are in the 0.011 bin. Differences less than -0.001 are in the -0.001 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.001 0 0.001 0.002 0.003 0.004 0.005 0.006 0.007 0.008 0.009 0.01 0.011
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C3H6S3 1,3,5-Trithiane 0.0
Most positive difference C3H6S3 1,3,5-Trithiane 0.0