IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
H2S | Hydrogen sulfide | 92.1 | 92.2 | -0.1 |
H2S | Hydrogen sulfide | 92.1 | 92.2 | -0.1 |
H2S | Hydrogen sulfide | 92.1 | 92.2 | -0.1 |
H2S | Hydrogen sulfide | 92.1 | 92.2 | -0.1 |
PBEPBEultrafine/6-31G* for aHSH
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.02 are in the 0.02 bin. Differences less than -0.1 are in the -0.1 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.1 | -0.09 | -0.08 | -0.07 | -0.06 | -0.05 | -0.04 | -0.03 | -0.02 | -0.01 | 1.38777878078145E-17 | 0.01 | 0.02 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | H2S | Hydrogen sulfide | -0.1 |
Most positive difference | H2S | Hydrogen sulfide | -0.1 |