IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
C2H6O2S | Dimethyl sulfone | 121.0 | 120.9 | 0.1 |
C2H6O2S | Dimethyl sulfone | 121.0 | 120.9 | 0.1 |
SO2F2 | Sulfuryl fluoride | 124.0 | 126.0 | -2.1 |
SO2 | Sulfur dioxide | 119.5 | 117.8 | 1.7 |
SO2 | Sulfur dioxide | 119.5 | 117.7 | 1.8 |
SO3 | Sulfur trioxide | 120.0 | 120.0 | 0.0 |
SO3 | Sulfur trioxide | 120.0 | 120.0 | 0.0 |
H2SO4 | Sulfuric acid | 101.3 | 101.3 | -0.0 |
H2SO4 | Sulfuric acid | 123.3 | 125.1 | -1.8 |
SO2Cl2 | Sulfuryl chloride | 130.4 | 123.8 | 6.6 |
mPW1PW91/cc-pVDZ for aOSO
Histogram of angle differences (in degrees) vs number of species
Differences greater than 9 are in the 9 bin. Differences less than -3 are in the -3 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-3 | -2 | -1 | 0 | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | SO2F2 | Sulfuryl fluoride | -2.1 |
Most positive difference | SO2Cl2 | Sulfuryl chloride | 6.6 |