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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH2NH Methanimine 123.4 125.4 -2.0
CH2NH Methanimine 119.7 118.3 1.4
CH3NO nitrosomethane 107.3 107.1 0.2
CH3NO nitrosomethane 111.1 111.2 -0.1
C3H3NO Oxazole 121.9 121.9 0.0
C3H3NO Oxazole 127.9 129.6 -1.7
C4H5N Pyrrole 121.5 121.5 -0.0
CH3NO2 Methane, nitro- 107.2 107.3 -0.1
CH2NOH formaldoxime 115.6 116.9 -1.4
CH2NOH formaldoxime 121.8 122.4 -0.7
CHONH2 formamide 112.7 113.4 -0.7
HCN Hydrogen cyanide 180.0 180.0 0.0

M06-2X/6-31G for aHCN

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


Differences greater than 4 are in the 4 bin. Differences less than -2 are in the -2 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-2 -1.5 -1 -0.5 0 0.5 1 1.5 2 2.5 3 3.5 4
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH2NH Methanimine -2.0
Most positive difference CH2NH Methanimine 1.4