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 | 112.8 | 0.1 |
CBr4 | Carbon tetrabromide | 109.5 | 109.5 | -0.0 |
CCSD(T)/6-31G** for aBrCBr
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.11 are in the 0.11 bin. Differences less than -0.01 are in the -0.01 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.01 | 0 | 0.01 | 0.02 | 0.03 | 0.04 | 0.05 | 0.06 | 0.07 | 0.08 | 0.09 | 0.1 | 0.11 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CBr4 | Carbon tetrabromide | -0.0 |
Most positive difference | CH2Br2 | dibromomethane | 0.1 |