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IV.D.4. (XII.A.2.) |
Compare Angles
Click on entry for experimental details.
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CH2FI | fluoroiodomethane | 110.5 | 110.9 | -0.4 |
B2PLYP/6-311G** for aFCI
Histogram of angle differences (in degrees) vs number of species
Differences greater than 0.15 are in the 0.15 bin. Differences less than -0.45 are in the -0.45 bin.
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-0.45 | -0.4 | -0.35 | -0.3 | -0.25 | -0.2 | -0.15 | -9.99999999999999E-02 | -4.99999999999999E-02 | 5.55111512312578E-17 | 0.05 | 0.1 | 0.15 | ||||||||||||||||||||||||||||
Angle difference calc. - exp. (degrees) |
Species | Name | Difference (degrees) | |
---|---|---|---|
Most negative difference | CH2FI | fluoroiodomethane | -0.4 |
Most positive difference | CH2FI | fluoroiodomethane | -0.4 |