Compare Angles
Click on entry for experimental details.
Species |
Name |
Experimental Angle |
Calculated Angle |
Difference |
CHCl3 |
Chloroform |
108.0 |
107.7 |
0.3 |
CHCl3 |
Chloroform |
108.0 |
108.9 |
-0.9 |
CHCl3 |
Chloroform |
108.0 |
107.6 |
0.3 |
CH3Cl |
Methyl chloride |
108.2 |
108.9 |
-0.7 |
CH3Cl |
Methyl chloride |
108.2 |
108.9 |
-0.7 |
CH3Cl |
Methyl chloride |
108.2 |
108.7 |
-0.5 |
CH3Cl |
Methyl chloride |
108.2 |
108.7 |
-0.5 |
CH3Cl |
Methyl chloride |
108.2 |
108.9 |
-0.7 |
CH2Cl2 |
Methylene chloride |
108.1 |
108.3 |
-0.1 |
CH2Cl2 |
Methylene chloride |
108.1 |
108.2 |
-0.1 |
CH2Cl2 |
Methylene chloride |
108.1 |
108.2 |
-0.1 |
CH2Cl2 |
Methylene chloride |
108.1 |
108.2 |
-0.1 |
CHF2Cl |
difluorochloromethane |
110.7 |
109.7 |
1.1 |
CHF2Cl |
difluorochloromethane |
110.7 |
109.4 |
1.4 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
109.0 |
106.0 |
3.0 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
109.0 |
105.5 |
3.5 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
112.6 |
114.7 |
-2.2 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
112.6 |
115.9 |
-3.3 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
112.6 |
115.9 |
-3.3 |
CH2FCl |
fluorochloromethane |
109.4 |
108.3 |
1.1 |
CH2FCl |
fluorochloromethane |
109.4 |
107.7 |
1.7 |
CH2FCl |
fluorochloromethane |
109.4 |
107.7 |
1.7 |
CHFClBr |
fluorochlorobromomethane |
108.5 |
109.5 |
-1.0 |
CHFClBr |
fluorochlorobromomethane |
108.5 |
109.5 |
-1.0 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
106.5 |
106.7 |
-0.2 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
106.5 |
106.3 |
0.2 |
HCCl |
Chloromethylene |
101.4 |
102.9 |
-1.5 |
HCCl |
Chloromethylene |
101.4 |
102.0 |
-0.6 |
HCCl |
Chloromethylene |
101.4 |
125.7 |
-24.3 |
HCCl |
Chloromethylene |
101.4 |
125.5 |
-24.1 |
HCCl |
Chloromethylene |
101.4 |
180.0 |
-78.6 |
MP2/6-31G* for aHCCl
Histogram of angle differences (in degrees) vs number of species
Differences greater than 40 are in the 40 bin.
Differences less than -80 are in the -80 bin.
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-80 |
-70 |
-60 |
-50 |
-40 |
-30 |
-20 |
-10 |
0 |
10 |
20 |
30 |
40 |
Angle difference calc. - exp. (degrees) |
|
Species |
Name |
Difference (degrees) |
Most negative difference |
HCCl |
Chloromethylene |
-78.6 |
Most positive difference
| CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
3.5 |