IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
F2SO | Thionyl Fluoride | 106.8 | 106.4 | 0.4 |
SOF4 | Sulfur tetrafluoride oxide | 97.7 | 98.0 | -0.3 |
SOF4 | Sulfur tetrafluoride oxide | 123.6 | 123.7 | -0.1 |
B3LYPultrafine/aug-cc-pVTZ for aOSF
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.9 are in the 0.9 bin. Differences less than -0.3 are in the -0.3 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.3 | -0.2 | -0.1 | 0 | 0.1 | 0.2 | 0.3 | 0.4 | 0.5 | 0.6 | 0.7 | 0.8 | 0.9 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | SOF4 | Sulfur tetrafluoride oxide | -0.3 |
Most positive difference | F2SO | Thionyl Fluoride | 0.4 |