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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
C3H7NO dimethylformamide 117.0 112.2 4.8
C3H7NO dimethylformamide 110.1 108.4 1.7
HCN Hydrogen cyanide 180.0 180.0 0.0
CH2NOH formaldoxime 121.8 122.3 -0.5
CH2NOH formaldoxime 115.6 116.7 -1.2
CH3NO2 Methane, nitro- 107.2 106.8 0.4
C4H5N Pyrrole 121.5 121.3 0.2
C3H3NO Oxazole 127.9 128.0 -0.1
C3H3NO Oxazole 121.9 121.8 0.1
C4H4N2 Pyrazine 117.9 116.8 1.0
CH3NC methyl isocyanide 109.6 109.4 0.2
CH3NO nitrosomethane 111.1 111.0 0.0
CH3NO nitrosomethane 107.3 107.0 0.2
CH2NH Methanimine 123.4 124.9 -1.5
CH2NH Methanimine 119.7 118.6 1.1

CCD/6-311G* for aHCN

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


Differences greater than 10 are in the 10 bin. Differences less than -2 are in the -2 bin.

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

  Species Name Difference (degrees)
Most negative difference CH2NH Methanimine -1.5
Most positive difference C3H7NO dimethylformamide 4.8