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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- 125.3 125.8 -0.5
CH3NO3 Methyl nitrate 118.1 117.7 0.4
CH3NO3 Methyl nitrate 112.4 113.4 -1.0
CH3NO3 Methyl nitrate 129.5 128.9 0.6
CH3ONO Methyl nitrite 114.8 114.6 0.2
C2H5NO3 Nitric acid, ethyl ester 111.0 113.5 -2.5
C2H5NO3 Nitric acid, ethyl ester 118.0 117.9 0.1
HNO3 Nitric acid 115.1 115.9 -0.8
HNO3 Nitric acid 130.3 129.8 0.5
HNO3 Nitric acid 113.9 114.3 -0.5
FNO3 Fluorine nitrate 117.1 117.8 -0.7
FNO3 Fluorine nitrate 108.4 108.8 -0.4
FNO3 Fluorine nitrate 134.5 133.4 1.1
FNO2 Nitryl fluoride 136.0 134.0 2.0
NO2 Nitrogen dioxide 134.1 134.8 -0.7
N2O4 Dinitrogen tetroxide 135.4 133.9 1.5
N2O3 Dinitrogen trioxide 129.8 131.6 -1.8
ClNO2 Nitryl chloride 130.6 130.6 0.0

CISD/6-31G* for aONO

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


Differences greater than 3.5 are in the 3.5 bin. Differences less than -2.5 are in the -2.5 bin.

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

  Species Name Difference (degrees)
Most negative difference C2H5NO3 Nitric acid, ethyl ester -2.5
Most positive difference FNO2 Nitryl fluoride 2.0