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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH3NO2 Methane, nitro- 125.3 125.7 -0.4
CH3ONO Methyl nitrite 114.8 116.1 -1.3
C2H5NO3 Nitric acid, ethyl ester 111.0 112.9 -1.9
C2H5NO3 Nitric acid, ethyl ester 118.0 117.8 0.2
HNO3 Nitric acid 115.1 115.7 -0.6
HNO3 Nitric acid 130.3 130.5 -0.2
HNO3 Nitric acid 113.9 113.8 0.1
HNO2 Nitrous acid 110.6 110.2 0.4
FNO2 Nitryl fluoride 136.0 134.6 1.4
NO2 Nitrogen dioxide 134.1 135.3 -1.2
N2O4 Dinitrogen tetroxide 135.4 134.4 1.0
N2O3 Dinitrogen trioxide 129.8 131.8 -2.0
NO3 Nitrogen trioxide 120.0 120.0 -0.0
ClNO2 Nitryl chloride 130.6 132.6 -2.0

QCISD/6-31G* for aONO

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


Differences greater than 4 are in the 4 bin. Differences less than -2 are in the -2 bin.

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

  Species Name Difference (degrees)
Most negative difference N2O3 Dinitrogen trioxide -2.0
Most positive difference FNO2 Nitryl fluoride 1.4