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 | 94.5 | -2.4 |
H2S | Hydrogen sulfide | 92.1 | 94.5 | -2.4 |
QCISD/3-21G* for aHSH
Histogram of angle differences (in degrees) vs number of species
Differences greater than 4.44089209850063E-16 are in the 4.44089209850063E-16 bin. Differences less than -2.4 are in the -2.4 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-2.4 | -2.2 | -2 | -1.8 | -1.6 | -1.4 | -1.2 | -1 | -0.8 | -0.6 | -0.4 | -0.2 | 4.44089209850063E-16 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | H2S | Hydrogen sulfide | -2.4 |
Most positive difference | H2S | Hydrogen sulfide | -2.4 |