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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- 125.3 124.7 0.6
C6H5NO2 Nitrobenzene 125.3 123.9 1.4
CH3CH(CH3)ONO Isopropyl nitrite 111.2 110.6 0.6
CH3NO3 Methyl nitrate 118.1 118.1 0.0
CH3NO3 Methyl nitrate 112.4 111.6 0.8
CH3NO3 Methyl nitrate 129.5 130.3 -0.8
CH3ONO Methyl nitrite 114.8 115.8 -1.0
C2H6N2O2 Dimethylnitroamine 130.4 124.5 5.9
HNO3 Nitric acid 115.1 115.8 -0.7
HNO3 Nitric acid 130.3 130.1 0.2
HNO3 Nitric acid 113.9 114.2 -0.3
HNO2 Nitrous acid 110.6 107.3 3.3
FNO3 Fluorine nitrate 117.1 117.0 0.1
FNO3 Fluorine nitrate 108.4 108.2 0.2
FNO3 Fluorine nitrate 134.5 134.8 -0.3
FNO2 Nitryl fluoride 136.0 135.1 0.9
NO2 Nitrogen dioxide 134.1 134.3 -0.2
N2O4 Dinitrogen tetroxide 135.4 134.6 0.8
N2O3 Dinitrogen trioxide 129.8 131.5 -1.7
ClNO2 Nitryl chloride 130.6 132.7 -2.1

wB97X-D/6-311G** for aONO

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


Differences greater than 9 are in the 9 bin. Differences less than -3 are in the -3 bin.

histogram chart 10
histogram chart 8
histogram chart 6 histogram chart
histogram chart 4 histogram chart 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
-3 -2 -1 0 1 2 3 4 5 6 7 8 9
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference ClNO2 Nitryl chloride -2.1
Most positive difference C2H6N2O2 Dimethylnitroamine 5.9