Species |
Name |
Experimental Angle |
Calculated Angle |
Difference |
C2H5Br |
Ethyl bromide |
112.2 |
112.3 |
-0.1 |
C2H5Br |
Ethyl bromide |
110.0 |
110.2 |
-0.2 |
C3H8 |
Propane |
111.8 |
112.0 |
-0.2 |
C3H8 |
Propane |
110.6 |
110.3 |
0.3 |
C3H8 |
Propane |
109.5 |
109.8 |
-0.2 |
CH3CCH |
propyne |
110.6 |
111.2 |
-0.6 |
CH3CHO |
Acetaldehyde |
117.5 |
112.5 |
5.0 |
CH3CH2SH |
ethanethiol |
110.2 |
104.7 |
5.5 |
CH3CH2SH |
ethanethiol |
109.7 |
110.8 |
-1.1 |
CH3CH2SH |
ethanethiol |
110.6 |
110.6 |
-0.0 |
C6H4Cl2 |
1,4-dichlorobenzene |
120.0 |
120.7 |
-0.7 |
CH3CH2CH2CH3 |
Butane |
111.0 |
108.9 |
2.1 |
CH2CHCH2CH3 |
1-Butene |
117.1 |
115.4 |
1.7 |
CH2CHCH2CH3 |
1-Butene |
110.3 |
110.1 |
0.2 |
C2H2O2 |
Ethanedial |
112.2 |
111.9 |
0.3 |
C4H5N |
Pyrrole |
127.1 |
126.4 |
0.7 |
C4H5N |
Pyrrole |
130.8 |
130.5 |
0.3 |
C4H5N |
Pyrrole |
128.2 |
126.0 |
2.2 |
C4H8O2 |
Ethyl acetate |
107.7 |
109.7 |
-2.0 |
C4H8O2 |
Ethyl acetate |
108.1 |
110.6 |
-2.5 |
C5H10 |
Cyclopentane |
111.7 |
109.2 |
2.5 |
C2H4S |
Thiirane |
117.9 |
117.8 |
0.1 |
CH3CHFCH3 |
2-Fluoropropane |
110.0 |
110.5 |
-0.5 |
CH3CHFCH3 |
2-Fluoropropane |
109.5 |
109.2 |
0.3 |
CH3CHFCH3 |
2-Fluoropropane |
110.5 |
110.6 |
-0.2 |
CH3CHFCH3 |
2-Fluoropropane |
110.2 |
109.6 |
0.6 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
112.0 |
109.7 |
2.3 |
CH2FCH2CH3 |
1-Fluoropropane |
111.6 |
109.2 |
2.4 |
CH2FCH2CH3 |
1-Fluoropropane |
109.0 |
108.6 |
0.4 |
CH2FCH2CH3 |
1-Fluoropropane |
110.4 |
110.9 |
-0.5 |
CH2FCH2CH3 |
1-Fluoropropane |
111.4 |
111.4 |
-0.0 |
CH2FCH2CH3 |
1-Fluoropropane |
111.0 |
110.8 |
0.2 |
C6H5F |
Fluorobenzene |
120.0 |
119.0 |
1.0 |
C6H5F |
Fluorobenzene |
119.9 |
120.2 |
-0.3 |
CH2CCH2 |
allene |
120.9 |
121.7 |
-0.8 |
CH2CO |
Ketene |
118.7 |
120.7 |
-2.0 |
C5H12 |
Propane, 2,2-dimethyl- |
112.2 |
110.4 |
1.8 |
C6H6 |
Fulvene |
124.7 |
124.2 |
0.4 |
C6H6 |
Fulvene |
126.4 |
126.7 |
-0.3 |
CH3CCCH3 |
2-Butyne |
110.7 |
111.4 |
-0.7 |
C3H8O2 |
1,3-Propanediol |
109.0 |
111.3 |
-2.3 |
CH3OC2H5 |
Ethane, methoxy- |
110.3 |
111.0 |
-0.7 |
CH3OC2H5 |
Ethane, methoxy- |
110.5 |
111.2 |
-0.7 |
CH3OC2H5 |
Ethane, methoxy- |
110.1 |
109.5 |
0.7 |
CH3CH(CH3)ONO |
Isopropyl nitrite |
109.5 |
111.2 |
-1.7 |
CH2CHOH |
ethenol |
129.1 |
121.9 |
7.2 |
CH2CHOH |
ethenol |
121.7 |
122.4 |
-0.7 |
CH2CHOH |
ethenol |
119.5 |
120.3 |
-0.8 |
CH3COF |
Acetyl fluoride |
110.4 |
110.3 |
0.1 |
C5H8 |
1,4-Pentadiene |
123.2 |
122.1 |
1.1 |
C5H8 |
1,4-Pentadiene |
117.3 |
120.5 |
-3.2 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
120.0 |
118.3 |
1.7 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
122.7 |
113.9 |
8.8 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
111.7 |
110.6 |
1.1 |
C6H12 |
(E)-3-methylpent-2-ene |
110.3 |
111.0 |
-0.7 |
C2H4F2 |
1,2-difluoroethane |
111.4 |
109.1 |
2.3 |
C2H4F2 |
1,2-difluoroethane |
108.4 |
107.9 |
0.5 |
C2H4F2 |
1,2-difluoroethane |
111.3 |
111.4 |
-0.1 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
110.7 |
110.7 |
0.0 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
110.6 |
110.7 |
-0.1 |
C5H10 |
2-Pentene, (Z)- |
124.0 |
118.2 |
5.8 |
C5H10 |
2-Pentene, (Z)- |
114.2 |
110.4 |
3.8 |
C4H5N |
(E)-2-Butenenitrile |
109.5 |
111.4 |
-2.0 |
C8H8 |
cyclooctatetraene |
117.7 |
118.4 |
-0.7 |
C8H8 |
cyclooctatetraene |
115.6 |
115.7 |
-0.1 |
C5H10 |
2-Pentene, (E)- |
129.0 |
119.2 |
9.8 |
C2H3CCH |
1-Buten-3-yne |
118.7 |
121.2 |
-2.5 |
C2H3CCH |
1-Buten-3-yne |
121.6 |
121.2 |
0.4 |
C2H3CCH |
1-Buten-3-yne |
121.7 |
119.6 |
2.1 |
C2H3CCH |
1-Buten-3-yne |
182.3 |
179.4 |
2.9 |
C6H8 |
Bicyclo[3.1.0]hex-2-ene |
128.9 |
125.2 |
3.7 |
C6H8 |
Bicyclo[3.1.0]hex-2-ene |
121.4 |
121.3 |
0.1 |
C6H8 |
Bicyclo[3.1.0]hex-2-ene |
118.5 |
119.4 |
-0.9 |
C4H6 |
Cyclobutene |
133.5 |
133.8 |
-0.3 |
C4H6 |
Cyclobutene |
114.5 |
115.6 |
-1.1 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
121.5 |
121.9 |
-0.4 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
121.0 |
121.3 |
-0.3 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
119.0 |
120.8 |
-1.8 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
109.3 |
111.7 |
-2.4 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
110.2 |
108.4 |
1.8 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
111.5 |
115.0 |
-3.5 |
C5H4O2 |
4-Cyclopentene-1,3-dione |
118.7 |
127.4 |
-8.7 |
C2H2F2 |
Ethene, 1,2-difluoro-, (Z)- |
124.0 |
119.5 |
4.5 |
C2H2F2 |
Ethene, 1,2-difluoro-, (E)- |
129.2 |
122.1 |
7.1 |
C4H6O |
Furan, 2,5-dihydro- |
134.8 |
126.8 |
8.0 |
C4H6S |
Thiophene, 2,5-dihydro- |
121.8 |
123.7 |
-1.9 |
C3H5 |
Allyl radical |
120.9 |
121.8 |
-0.9 |
C3H5 |
Allyl radical |
117.7 |
117.7 |
0.0 |
C2H |
Ethynyl radical |
180.0 |
180.0 |
0.0 |
CH3CH2O |
Ethoxy radical |
110.8 |
111.1 |
-0.3 |
C2H2ClF |
1-chloro-1-fluoroethylene |
119.2 |
120.8 |
-1.6 |
C2H2ClF |
1-chloro-1-fluoroethylene |
119.3 |
124.5 |
-5.2 |
C2H3 |
vinyl |
137.3 |
138.6 |
-1.3 |
C2H3 |
vinyl |
121.5 |
123.0 |
-1.5 |
HCCF |
Fluoroacetylene |
180.0 |
180.0 |
0.0 |
H2CCCCH2 |
Butatriene |
121.5 |
121.7 |
-0.2 |
CHOCHCHCH3 |
2-Butenal |
116.1 |
111.5 |
4.6 |
C4H5N |
Cyclopropanecarbonitrile |
119.6 |
115.8 |
3.8 |
C3H4O |
Methylketene |
113.7 |
117.3 |
-3.6 |
C4H6 |
Methylenecyclopropane |
122.9 |
121.5 |
1.4 |
C5H6 |
Cyclopropylacetylene |
109.5 |
116.4 |
-6.9 |
CH3CHS |
Thioacetaldehyde |
119.4 |
114.6 |
4.8 |
CH3CHS |
Thioacetaldehyde |
111.2 |
111.2 |
-0.0 |
CH3CHS |
Thioacetaldehyde |
110.1 |
110.1 |
0.1 |
C5H6 |
Propellane |
116.9 |
116.5 |
0.4 |