IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
FNO | Nitrosyl fluoride | 110.1 | 110.2 | -0.1 |
TPSSh/daug-cc-pVDZ for aONF
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.04 are in the 0.04 bin. Differences less than -0.08 are in the -0.08 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.08 | -0.07 | -0.06 | -0.05 | -0.04 | -0.03 | -0.02 | -0.01 | 0 | 0.01 | 0.02 | 0.03 | 0.04 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | FNO | Nitrosyl fluoride | -0.1 |
Most positive difference | FNO | Nitrosyl fluoride | -0.1 |