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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
HCN Hydrogen cyanide 180.0 180.0 0.0
CHONH2 formamide 112.7 112.1 0.6
CH2NOH formaldoxime 121.8 122.3 -0.6
CH2NOH formaldoxime 115.6 116.6 -1.0
C4H5N Pyrrole 121.5 121.4 0.1
C3H3NO Oxazole 127.9 128.6 -0.7
C3H3NO Oxazole 121.9 121.8 0.1
CH3NC methyl isocyanide 109.6 110.3 -0.7
CH3NO nitrosomethane 111.1 111.9 -0.8
CH3NO nitrosomethane 107.3 106.8 0.5
CH2NH Methanimine 123.4 125.2 -1.8
CH2NH Methanimine 119.7 118.7 1.0
C2H6N2O2 Dimethylnitroamine 101.9 112.3 -10.4

LSDA/cc-pVTZ for aHCN

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


Differences greater than 1 are in the 1 bin. Differences less than -11 are in the -11 bin.

histogram chart 10
histogram chart 8
histogram chart 6
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
-11 -10 -9 -8 -7 -6 -5 -4 -3 -2 -1 0 1
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C2H6N2O2 Dimethylnitroamine -10.4
Most positive difference CH2NH Methanimine 1.0