Compare Angles
Click on entry for experimental details.
Species |
Name |
Experimental Angle |
Calculated Angle |
Difference |
CH2CHF |
Ethene, fluoro- |
110.0 |
112.8 |
-2.8 |
CH2CHF |
Ethene, fluoro- |
110.0 |
112.8 |
-2.8 |
CH2F2 |
Methane, difluoro- |
108.9 |
109.1 |
-0.2 |
CH2F2 |
Methane, difluoro- |
108.9 |
109.1 |
-0.2 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
108.5 |
108.6 |
-0.1 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
108.5 |
108.6 |
-0.1 |
CHF2Cl |
difluorochloromethane |
109.0 |
112.4 |
-3.4 |
CHF3 |
Methane, trifluoro- |
110.3 |
110.5 |
-0.1 |
CHF3 |
Methane, trifluoro- |
110.3 |
110.5 |
-0.2 |
C2H5F |
fluoroethane |
106.1 |
109.1 |
-3.0 |
C2HF3 |
Trifluoroethylene |
116.0 |
117.0 |
-1.0 |
CH2FI |
fluoroiodomethane |
109.7 |
111.3 |
-1.7 |
CH2FCH2CH3 |
1-Fluoropropane |
107.2 |
109.4 |
-2.2 |
CH2FCH2CH3 |
1-Fluoropropane |
107.2 |
109.1 |
-1.9 |
CH3F |
Methyl fluoride |
108.7 |
110.4 |
-1.6 |
CH3F |
Methyl fluoride |
108.7 |
110.4 |
-1.6 |
CHFClBr |
fluorochlorobromomethane |
108.8 |
112.5 |
-3.7 |
CHFClBr |
fluorochlorobromomethane |
108.8 |
112.5 |
-3.7 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
110.5 |
-2.3 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
109.7 |
-1.5 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
109.7 |
-1.5 |
C2H4F2 |
1,2-difluoroethane |
108.2 |
109.1 |
-0.9 |
C2H4F2 |
1,2-difluoroethane |
109.6 |
110.5 |
-0.9 |
C2H4F2 |
1,2-difluoroethane |
109.6 |
109.8 |
-0.2 |
C2H4F2 |
1,2-difluoroethane |
107.8 |
110.5 |
-2.7 |
C2H4F2 |
1,2-difluoroethane |
107.8 |
109.7 |
-1.9 |
CH2CHCH2F |
Allyl Fluoride |
107.4 |
109.2 |
-1.8 |
CH2CHCH2F |
Allyl Fluoride |
107.4 |
108.2 |
-0.8 |
CH2CHCH2F |
Allyl Fluoride |
107.4 |
110.2 |
-2.8 |
CH2CHCH2F |
Allyl Fluoride |
107.4 |
109.8 |
-2.4 |
CH2CHCH2F |
Allyl Fluoride |
107.1 |
109.2 |
-2.1 |
CH2CHCH2F |
Allyl Fluoride |
107.1 |
110.1 |
-3.0 |
CH2CHCH2F |
Allyl Fluoride |
114.7 |
109.2 |
5.5 |
CH2CHCH2F |
Allyl Fluoride |
114.7 |
108.2 |
6.5 |
HFCO |
formyl fluoride |
109.9 |
109.3 |
0.6 |
HCF |
Fluoromethylene |
104.1 |
102.0 |
2.1 |
HSEh1PBE/3-21G 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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Angle difference calc. - exp. (degrees) |
|
Species |
Name |
Difference (degrees) |
Most negative difference |
CHFClBr |
fluorochlorobromomethane |
-3.7 |
Most positive difference
| CH2CHCH2F |
Allyl Fluoride |
6.5 |