IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
SO2 | Sulfur dioxide | 119.5 | 119.4 | 0.1 |
SO3 | Sulfur trioxide | 120.0 | 120.0 | -0.0 |
QCISD(T)=FULL/cc-pCVTZ for aOSO
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.005 | 0 | 0.005 | 0.01 | 0.015 | 0.02 | 0.025 | 0.03 | 0.035 | 0.04 | 0.045 | 0.05 | 0.055 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | SO3 | Sulfur trioxide | -0.0 |
Most positive difference | SO2 | Sulfur dioxide | 0.1 |