Compare Angles
Click on entry for experimental details.
Species |
Name |
Experimental Angle |
Calculated Angle |
Difference |
CH2CHF |
Ethene, fluoro- |
110.0 |
111.9 |
-1.9 |
CH2F2 |
Methane, difluoro- |
108.9 |
108.7 |
0.2 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
108.5 |
107.4 |
1.1 |
CHF3 |
Methane, trifluoro- |
110.3 |
110.5 |
-0.2 |
CH2FCH2CH3 |
1-Fluoropropane |
107.2 |
107.0 |
0.2 |
CH3F |
Methyl fluoride |
108.7 |
108.6 |
0.1 |
CH3F |
Methyl fluoride |
108.7 |
108.7 |
0.1 |
CHFClBr |
fluorochlorobromomethane |
108.8 |
109.8 |
-1.0 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
108.4 |
-0.2 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
108.0 |
0.2 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
111.1 |
-2.9 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
109.7 |
-1.5 |
C2H4F2 |
1,2-difluoroethane |
109.6 |
108.4 |
1.2 |
C2H4F2 |
1,2-difluoroethane |
109.6 |
107.9 |
1.7 |
C2H4F2 |
1,2-difluoroethane |
107.8 |
108.4 |
-0.6 |
C2H4F2 |
1,2-difluoroethane |
107.8 |
108.0 |
-0.2 |
CH2CHCH2F |
Allyl Fluoride |
107.4 |
107.4 |
-0.0 |
CH2CHCH2F |
Allyl Fluoride |
107.4 |
106.5 |
0.9 |
CH2CHCH2F |
Allyl Fluoride |
107.4 |
110.9 |
-3.6 |
CH2CHCH2F |
Allyl Fluoride |
107.4 |
111.6 |
-4.2 |
CH2CHCH2F |
Allyl Fluoride |
107.1 |
107.4 |
-0.3 |
CH2CHCH2F |
Allyl Fluoride |
107.1 |
107.7 |
-0.6 |
CH2CHCH2F |
Allyl Fluoride |
114.7 |
107.4 |
7.3 |
CH2CHCH2F |
Allyl Fluoride |
114.7 |
106.5 |
8.2 |
B2PLYP=FULL/daug-cc-pVTZ for aHCF
Histogram of angle differences (in degrees) vs number of species
Differences greater than 18 are in the 18 bin.
Differences less than -6 are in the -6 bin.
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-6 |
-4 |
-2 |
0 |
2 |
4 |
6 |
8 |
10 |
12 |
14 |
16 |
18 |
Angle difference calc. - exp. (degrees) |
|
Species |
Name |
Difference (degrees) |
Most negative difference |
CH2CHCH2F |
Allyl Fluoride |
-4.2 |
Most positive difference
| CH2CHCH2F |
Allyl Fluoride |
8.2 |