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 | -0.0 |
MP3=FULL/aug-cc-pVTZ for aHSH
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.01 are in the 0.01 bin. Differences less than -0.05 are in the -0.05 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.05 | -0.045 | -0.04 | -0.035 | -0.03 | -0.025 | -0.02 | -0.015 | -0.01 | -0.005 | 6.93889390390723E-18 | 0.005 | 0.01 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | H2S | Hydrogen sulfide | -0.0 |
Most positive difference | H2S | Hydrogen sulfide | -0.0 |