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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- 125.3 125.3 0.0
CH3ONO Methyl nitrite 114.8 116.0 -1.2
C2H5NO3 Nitric acid, ethyl ester 111.0 113.0 -2.0
C2H5NO3 Nitric acid, ethyl ester 118.0 117.7 0.3
HNO3 Nitric acid 115.1 115.6 -0.5
HNO3 Nitric acid 130.3 130.2 0.0
HNO3 Nitric acid 113.9 114.2 -0.3
HNO2 Nitrous acid 110.6 110.7 -0.1
FNO2 Nitryl fluoride 136.0 134.9 1.1
NO2 Nitrogen dioxide 134.1 134.7 -0.6
N2O4 Dinitrogen tetroxide 135.4 134.3 1.1
N2O3 Dinitrogen trioxide 129.8 131.7 -1.9
ClNO2 Nitryl chloride 130.6 132.7 -2.1

QCISD/cc-pVTZ 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 2 histogram chart histogram chart histogram chart
histogram chart 0 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 ClNO2 Nitryl chloride -2.1
Most positive difference FNO2 Nitryl fluoride 1.1