IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
HOF | Hypofluorous acid | 97.2 | 97.3 | -0.1 |
HOF | Hypofluorous acid | 97.2 | 97.3 | -0.1 |
CCSD(T)/aug-cc-pVDZ for aHOF
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.005 are in the 0.005 bin. Differences less than -0.055 are in the -0.055 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.055 | -0.05 | -0.045 | -0.04 | -0.035 | -0.03 | -0.025 | -0.02 | -0.015 | -0.01 | -4.99999999999999E-03 | 6.93889390390723E-18 | 0.005 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | HOF | Hypofluorous acid | -0.1 |
Most positive difference | HOF | Hypofluorous acid | -0.1 |