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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH2BrCl Methane, bromochloro- 113.3 113.2 0.1
CBrCl3 Methane, bromotrichloro- 109.2 109.9 -0.7
CBrClF2 Methane, bromochlorodifluoro- 112.3 114.4 -2.1
CHFClBr fluorochlorobromomethane 112.1 113.4 -1.3

MP2/CEP-121G for aClCBr

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


Differences greater than 0.200000000000001 are in the 0.200000000000001 bin. Differences less than -2.2 are in the -2.2 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart histogram chart
-2.2 -2 -1.8 -1.6 -1.4 -1.2 -1 -0.8 -0.6 -0.4 -0.2 4.44089209850063E-16 0.200000000000001
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CBrClF2 Methane, bromochlorodifluoro- -2.1
Most positive difference CH2BrCl Methane, bromochloro- 0.1