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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 116.5 116.5 -0.0

QCISD/TZVP for aSCS

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


Differences greater than 0.0025 are in the 0.0025 bin. Differences less than -0.0035 are in the -0.0035 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.0035 -0.003 -0.0025 -0.002 -0.0015 -0.001 -0.0005 0 0.0005 0.001 0.0015 0.002 0.0025
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