IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CH2Br2 | dibromomethane | 112.9 | 113.2 | -0.3 |
MP2/aug-cc-pVQZ for aBrCBr
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.25 are in the 0.25 bin. Differences less than -0.35 are in the -0.35 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.35 | -0.3 | -0.25 | -0.2 | -0.15 | -0.1 | -4.99999999999999E-02 | 5.55111512312578E-17 | 0.05 | 0.1 | 0.15 | 0.2 | 0.25 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CH2Br2 | dibromomethane | -0.3 |
Most positive difference | CH2Br2 | dibromomethane | -0.3 |