Compare Angles
Click on entry for experimental details.
Species |
Name |
Experimental Angle |
Calculated Angle |
Difference |
CH2CHF |
Ethene, fluoro- |
110.0 |
111.7 |
-1.7 |
CH2CHF |
Ethene, fluoro- |
110.0 |
111.7 |
-1.7 |
CH2F2 |
Methane, difluoro- |
108.9 |
108.7 |
0.2 |
CH2F2 |
Methane, difluoro- |
108.9 |
108.7 |
0.2 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
108.5 |
107.4 |
1.1 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
108.5 |
107.4 |
1.1 |
CHF2Cl |
difluorochloromethane |
109.0 |
110.0 |
-1.0 |
CHF3 |
Methane, trifluoro- |
110.3 |
110.3 |
0.0 |
CHF3 |
Methane, trifluoro- |
110.3 |
110.3 |
0.0 |
C2H5F |
fluoroethane |
106.1 |
107.5 |
-1.4 |
C2HF3 |
Trifluoroethylene |
116.0 |
115.9 |
0.1 |
CH2FI |
fluoroiodomethane |
109.7 |
109.9 |
-0.2 |
CH2FCH2CH3 |
1-Fluoropropane |
107.2 |
107.6 |
-0.4 |
CH2FCH2CH3 |
1-Fluoropropane |
107.2 |
107.4 |
-0.2 |
CH3F |
Methyl fluoride |
108.7 |
109.2 |
-0.4 |
CH3F |
Methyl fluoride |
108.7 |
109.1 |
-0.4 |
CH3F |
Methyl fluoride |
108.7 |
109.1 |
-0.4 |
CHFClBr |
fluorochlorobromomethane |
108.8 |
109.8 |
-1.0 |
CHFClBr |
fluorochlorobromomethane |
108.8 |
109.8 |
-1.0 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
108.7 |
-0.5 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
108.7 |
-0.5 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
108.2 |
0.0 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
108.2 |
0.0 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
110.8 |
-2.6 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
110.8 |
-2.6 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
109.8 |
-1.6 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
109.8 |
-1.6 |
C2H4F2 |
1,2-difluoroethane |
109.6 |
108.7 |
0.9 |
C2H4F2 |
1,2-difluoroethane |
109.6 |
108.7 |
0.9 |
C2H4F2 |
1,2-difluoroethane |
109.6 |
108.2 |
1.4 |
C2H4F2 |
1,2-difluoroethane |
109.6 |
108.2 |
1.4 |
C2H4F2 |
1,2-difluoroethane |
107.8 |
108.7 |
-0.9 |
C2H4F2 |
1,2-difluoroethane |
107.8 |
108.7 |
-0.9 |
C2H4F2 |
1,2-difluoroethane |
107.8 |
108.2 |
-0.4 |
C2H4F2 |
1,2-difluoroethane |
107.8 |
108.2 |
-0.4 |
CH2CHCH2F |
Allyl Fluoride |
107.4 |
107.8 |
-0.4 |
CH2CHCH2F |
Allyl Fluoride |
107.4 |
106.8 |
0.5 |
CH2CHCH2F |
Allyl Fluoride |
107.4 |
110.7 |
-3.3 |
CH2CHCH2F |
Allyl Fluoride |
107.4 |
111.0 |
-3.6 |
CH2CHCH2F |
Allyl Fluoride |
107.1 |
107.8 |
-0.7 |
CH2CHCH2F |
Allyl Fluoride |
107.1 |
108.1 |
-1.0 |
CH2CHCH2F |
Allyl Fluoride |
114.7 |
107.8 |
6.9 |
CH2CHCH2F |
Allyl Fluoride |
114.7 |
106.8 |
7.8 |
HFCO |
formyl fluoride |
109.9 |
109.2 |
0.7 |
HCF |
Fluoromethylene |
104.1 |
101.8 |
2.3 |
mPW1PW91/6-311G* 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 |
1 |
2 |
3 |
4 |
5 |
6 |
7 |
8 |
Angle difference calc. - exp. (degrees) |
|
Species |
Name |
Difference (degrees) |
Most negative difference |
CH2CHCH2F |
Allyl Fluoride |
-3.6 |
Most positive difference
| CH2CHCH2F |
Allyl Fluoride |
7.8 |