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 | 112.4 | 0.5 |
CBr4 | Carbon tetrabromide | 109.5 | 109.5 | -0.0 |
PBE1PBE/3-21G for aBrCBr
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.55 are in the 0.55 bin. Differences less than -0.05 are in the -0.05 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.05 | 0 | 0.05 | 0.1 | 0.15 | 0.2 | 0.25 | 0.3 | 0.35 | 0.4 | 0.45 | 0.5 | 0.55 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CBr4 | Carbon tetrabromide | -0.0 |
Most positive difference | CH2Br2 | dibromomethane | 0.5 |