Species |
Name |
Experimental Angle |
Calculated Angle |
Difference |
C2H4 |
Ethylene |
121.2 |
121.5 |
-0.3 |
C2H2 |
Acetylene |
180.0 |
180.0 |
0.0 |
C2H5Br |
Ethyl bromide |
112.2 |
111.9 |
0.3 |
C2H5Br |
Ethyl bromide |
110.0 |
109.3 |
0.7 |
CH3CCH |
propyne |
110.6 |
110.5 |
0.1 |
CH2CHF |
Ethene, fluoro- |
120.9 |
119.4 |
1.5 |
CH2CHF |
Ethene, fluoro- |
119.0 |
121.1 |
-2.1 |
CH2CHF |
Ethene, fluoro- |
129.2 |
125.5 |
3.7 |
CH3CN |
Acetonitrile |
109.4 |
109.8 |
-0.3 |
CH3CHO |
Acetaldehyde |
117.5 |
115.0 |
2.5 |
CH3CH2SH |
ethanethiol |
110.2 |
104.9 |
5.3 |
CH3CH2SH |
ethanethiol |
109.7 |
110.5 |
-0.8 |
CH3CH2SH |
ethanethiol |
110.6 |
110.8 |
-0.2 |
C3H6 |
Cyclopropane |
117.9 |
117.8 |
0.1 |
C2H4O |
Ethylene oxide |
119.1 |
119.4 |
-0.3 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
111.0 |
108.8 |
2.2 |
C6H4Cl2 |
1,4-dichlorobenzene |
120.0 |
120.4 |
-0.4 |
CH3CH2CH2CH3 |
Butane |
111.0 |
109.0 |
2.0 |
CH2CHCH2CH3 |
1-Butene |
117.1 |
116.1 |
1.0 |
CH2CHCH2CH3 |
1-Butene |
110.3 |
110.5 |
-0.2 |
CH2CHCHO |
Acrolein |
114.7 |
114.6 |
0.1 |
CH2CHCHO |
Acrolein |
115.5 |
114.6 |
0.9 |
CH2CHCHO |
Acrolein |
122.4 |
122.6 |
-0.2 |
CH2CHCHO |
Acrolein |
121.0 |
122.6 |
-1.6 |
CH2CHCHO |
Acrolein |
122.2 |
122.1 |
0.1 |
CH2CHCHO |
Acrolein |
118.5 |
122.1 |
-3.6 |
CH2CHCHO |
Acrolein |
119.8 |
120.8 |
-1.0 |
CH2CHCHO |
Acrolein |
121.6 |
120.8 |
0.8 |
CH2CHCHO |
Acrolein |
117.3 |
116.6 |
0.7 |
C2H6 |
Ethane |
110.9 |
111.1 |
-0.2 |
CH2CHCHO |
Acrolein |
117.6 |
116.6 |
1.0 |
C2H2O2 |
Ethanedial |
112.2 |
114.7 |
-2.5 |
CH3CH2CHO |
Propanal |
110.3 |
110.6 |
-0.3 |
CH3CH2CHO |
Propanal |
111.9 |
107.2 |
4.7 |
CH3CH2CHO |
Propanal |
115.1 |
115.1 |
0.0 |
CH3CH2CHO |
Propanal |
111.7 |
110.6 |
1.1 |
CH3CH2CHO |
Propanal |
106.8 |
111.6 |
-4.8 |
C4H4Se |
selenophene |
122.9 |
122.8 |
0.1 |
C2H2N2O |
Furazan |
130.2 |
130.4 |
-0.2 |
C2H5F |
fluoroethane |
112.9 |
111.3 |
1.6 |
C2H5F |
fluoroethane |
109.7 |
110.0 |
-0.3 |
C2H5F |
fluoroethane |
110.4 |
110.3 |
0.1 |
C2HF3 |
Trifluoroethylene |
124.0 |
122.9 |
1.1 |
C2H4S |
Thiirane |
117.9 |
117.8 |
0.2 |
CH3CHFCH3 |
2-Fluoropropane |
110.0 |
110.2 |
-0.2 |
CH3CHFCH3 |
2-Fluoropropane |
109.5 |
109.8 |
-0.4 |
CH3CHFCH3 |
2-Fluoropropane |
110.5 |
110.3 |
0.2 |
CH3CHFCH3 |
2-Fluoropropane |
110.2 |
110.2 |
0.0 |
CH(CN)3 |
tricyanomethane |
106.6 |
108.0 |
-1.4 |
CH2CCH2 |
allene |
120.9 |
121.0 |
-0.1 |
CH2CO |
Ketene |
118.7 |
119.2 |
-0.5 |
C2H4F2 |
1,2-difluoroethane |
111.4 |
110.2 |
1.2 |
C2H4F2 |
1,2-difluoroethane |
108.4 |
110.1 |
-1.7 |
C2H4F2 |
1,2-difluoroethane |
111.3 |
109.6 |
1.7 |
CH2ClCCCl |
1,3-dichloropropyne |
108.8 |
110.5 |
-1.7 |
C2H2F2 |
Ethene, 1,2-difluoro-, (Z)- |
124.0 |
122.6 |
1.4 |
C2H2F2 |
Ethene, 1,2-difluoro-, (E)- |
129.2 |
124.8 |
4.4 |
C3H5 |
Allyl radical |
120.9 |
121.5 |
-0.6 |
C3H5 |
Allyl radical |
117.7 |
117.9 |
-0.2 |
C2H2ClF |
1-chloro-1-fluoroethylene |
119.2 |
120.7 |
-1.5 |
C2H2ClF |
1-chloro-1-fluoroethylene |
119.3 |
122.6 |
-3.3 |
C2H3 |
vinyl |
137.3 |
136.3 |
1.0 |
C2H3 |
vinyl |
121.5 |
121.4 |
0.1 |
HCCF |
Fluoroacetylene |
180.0 |
180.0 |
0.0 |
C3H4 |
cyclopropene |
149.9 |
149.9 |
-0.0 |
C3H4 |
cyclopropene |
145.6 |
145.6 |
-0.0 |
C3H4 |
cyclopropene |
119.2 |
119.4 |
-0.2 |
C5H6 |
Propellane |
116.9 |
117.0 |
-0.1 |