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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 117.0 111.3 5.7
C3H7NO dimethylformamide 110.1 107.9 2.2
HCN Hydrogen cyanide 180.0 180.0 0.0
CH2NOH formaldoxime 121.8 122.3 -0.5
CH2NOH formaldoxime 115.6 116.2 -0.7
N(CH3)3 Trimethylamine 111.7 112.3 -0.6
N(CH3)3 Trimethylamine 110.1 109.6 0.5
CH3NO2 Methane, nitro- 107.2 107.0 0.2
C4H5N Pyrrole 121.5 121.3 0.2
CH3NHCH3 Dimethylamine 109.7 109.7 0.0
CH3NHCH3 Dimethylamine 108.2 109.0 -0.8
CH3NHCH3 Dimethylamine 113.8 113.8 0.0
C2H5N Aziridine 118.3 118.5 -0.2
C2H5N Aziridine 114.3 114.5 -0.2
C3H4N2 1H-Pyrazole 119.3 119.1 0.2
C3H4N2 1H-Pyrazole 121.4 121.8 -0.4
C3H3NO Oxazole 127.9 128.2 -0.3
C3H3NO Oxazole 121.9 121.7 0.2
C4H4N2 Pyridazine 111.7 114.4 -2.7
C4H4N2 1,3-Diazine 117.9 116.4 1.5
C4H4N2 Pyrazine 117.9 116.7 1.2
CH3NC methyl isocyanide 109.6 109.4 0.2
CH3NO nitrosomethane 111.1 111.0 0.1
CH3NO nitrosomethane 107.3 106.9 0.4
CH2NH Methanimine 123.4 125.2 -1.8
CH2NH Methanimine 119.7 118.4 1.3
C2H6N2O2 Dimethylnitroamine 101.9 111.9 -10.0

MP2/6-311G** for aHCN

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


Differences greater than 12 are in the 12 bin. Differences less than -12 are in the -12 bin.

histogram chart 18
histogram chart 16 histogram chart
histogram chart 14 histogram chart
histogram chart 12 histogram chart
histogram chart 10 histogram chart
histogram chart 8 histogram chart
histogram chart 6 histogram chart
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-12 -10 -8 -6 -4 -2 0 2 4 6 8 10 12
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C2H6N2O2 Dimethylnitroamine -10.0
Most positive difference C3H7NO dimethylformamide 5.7