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 | 114.1 | -1.2 |
CBr4 | Carbon tetrabromide | 109.5 | 109.5 | -0.0 |
CBr4 | Carbon tetrabromide | 109.5 | 109.5 | -0.0 |
COBr2 | Carbonic dibromide | 112.3 | 111.7 | 0.6 |
LSDA/cc-pVDZ for aBrCBr
Histogram of angle differences (in degrees) vs number of species
Differences greater than 1 are in the 1 bin. Differences less than -1.4 are in the -1.4 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-1.4 | -1.2 | -1 | -0.8 | -0.6 | -0.4 | -0.2 | 2.22044604925031E-16 | 0.2 | 0.4 | 0.6 | 0.8 | 1 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CH2Br2 | dibromomethane | -1.2 |
Most positive difference | COBr2 | Carbonic dibromide | 0.6 |