IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CF2Cl2 | difluorodichloromethane | 109.5 | 109.3 | 0.1 |
CF3Cl | Methane, chlorotrifluoro- | 110.3 | 110.3 | 0.0 |
CCSD=FULL/cc-pCVTZ for aFCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.22 are in the 0.22 bin. Differences less than -0.02 are in the -0.02 bin.
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.02 | 0 | 0.02 | 0.04 | 0.06 | 0.08 | 0.1 | 0.12 | 0.14 | 0.16 | 0.18 | 0.2 | 0.22 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CF3Cl | Methane, chlorotrifluoro- | 0.0 |
Most positive difference | CF2Cl2 | difluorodichloromethane | 0.1 |