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Compare Angles

18 10 26 16 25

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Species Name Experimental Angle Calculated Angle Difference
CH3CSNH2 Ethanethioamide 0.0 122.8 -122.8
CH3CSNH2 Ethanethioamide 180.0 122.8 57.2

QCISD/6-311G* for dHNCS

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


Differences greater than 100 are in the 100 bin. Differences less than -140 are in the -140 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart
-140 -120 -100 -80 -60 -40 -20 0 20 40 60 80 100
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH3CSNH2 Ethanethioamide -122.8
Most positive difference CH3CSNH2 Ethanethioamide 57.2