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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH2NOH formaldoxime 110.2 108.6 1.6
C2H2N2O Furazan 105.5 104.0 1.5
CH3NO nitrosomethane 113.2 110.4 2.7
C2H3NO Nitrosoethylene 112.7 110.1 2.5

B2PLYP/3-21G* for aCNO

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


Differences greater than 5.5 are in the 5.5 bin. Differences less than -0.5 are in the -0.5 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart
-0.5 0 0.5 1 1.5 2 2.5 3 3.5 4 4.5 5 5.5
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C2H2N2O Furazan 1.5
Most positive difference CH3NO nitrosomethane 2.7