Compare Angles
Click on entry for experimental details.
Species |
Name |
Experimental Angle |
Calculated Angle |
Difference |
CH2CHF |
Ethene, fluoro- |
110.0 |
112.0 |
-2.0 |
CH2F2 |
Methane, difluoro- |
108.9 |
108.8 |
0.0 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
108.5 |
107.5 |
1.0 |
CHF3 |
Methane, trifluoro- |
110.3 |
110.5 |
-0.2 |
CH2FCH2CH3 |
1-Fluoropropane |
107.2 |
107.0 |
0.2 |
CH3F |
Methyl fluoride |
108.7 |
108.9 |
-0.1 |
CH3F |
Methyl fluoride |
108.7 |
108.6 |
0.2 |
CHFClBr |
fluorochlorobromomethane |
108.8 |
109.8 |
-1.0 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
108.3 |
-0.1 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
107.9 |
0.3 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
111.2 |
-3.0 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
109.7 |
-1.5 |
C2H4F2 |
1,2-difluoroethane |
109.6 |
108.3 |
1.3 |
C2H4F2 |
1,2-difluoroethane |
109.6 |
107.9 |
1.7 |
C2H4F2 |
1,2-difluoroethane |
107.8 |
108.3 |
-0.5 |
C2H4F2 |
1,2-difluoroethane |
107.8 |
107.9 |
-0.1 |
CH2CHCH2F |
Allyl Fluoride |
107.4 |
107.5 |
-0.1 |
CH2CHCH2F |
Allyl Fluoride |
107.4 |
106.7 |
0.7 |
CH2CHCH2F |
Allyl Fluoride |
107.4 |
110.8 |
-3.4 |
CH2CHCH2F |
Allyl Fluoride |
107.4 |
111.2 |
-3.9 |
CH2CHCH2F |
Allyl Fluoride |
107.1 |
107.5 |
-0.4 |
CH2CHCH2F |
Allyl Fluoride |
107.1 |
107.8 |
-0.7 |
CH2CHCH2F |
Allyl Fluoride |
114.7 |
107.5 |
7.2 |
CH2CHCH2F |
Allyl Fluoride |
114.7 |
106.7 |
8.0 |
HF/daug-cc-pVDZ for aHCF
Histogram of angle differences (in degrees) vs number of species
Differences greater than 8 are in the 8 bin.
Differences less than -4 are in the -4 bin.
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-4 |
-3 |
-2 |
-1 |
0 |
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8 |
Angle difference calc. - exp. (degrees) |
|
Species |
Name |
Difference (degrees) |
Most negative difference |
CH2CHCH2F |
Allyl Fluoride |
-3.9 |
Most positive difference
| CH2CHCH2F |
Allyl Fluoride |
8.0 |