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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH3NHCH3 Dimethylamine 109.7 109.6 0.1
CH3NHCH3 Dimethylamine 108.2 109.2 -1.0
CH3NHCH3 Dimethylamine 113.8 114.0 -0.2
C2H5N Aziridine 118.3 118.8 -0.5
C2H5N Aziridine 114.3 115.0 -0.7
C4H4N2 Pyrazine 117.9 117.2 0.7

CISD/6-31G** for aHCN

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


Differences greater than 1.2 are in the 1.2 bin. Differences less than -1.2 are in the -1.2 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 histogram chart histogram chart
-1.2 -1 -0.8 -0.6 -0.4 -0.2 2.22044604925031E-16 0.2 0.4 0.6 0.8 1 1.2
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH3NHCH3 Dimethylamine -1.0
Most positive difference C4H4N2 Pyrazine 0.7