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 | 114.4 | -4.3 |
FNO | Nitrosyl fluoride | 110.1 | 110.3 | -0.2 |
F3NO | Nitrogen trifluoride oxide | 117.1 | 117.5 | -0.4 |
wB97X-D/3-21G* for aONF
Histogram of angle differences (in degrees) vs number of species
Differences greater than 1.5 are in the 1.5 bin. Differences less than -4.5 are in the -4.5 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-4.5 | -4 | -3.5 | -3 | -2.5 | -2 | -1.5 | -1 | -0.5 | 0 | 0.5 | 1 | 1.5 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | FNO | Nitrosyl fluoride | -4.3 |
Most positive difference | FNO | Nitrosyl fluoride | -0.2 |