Species |
Name |
Experimental Angle |
Calculated Angle |
Difference |
CH3CH(NH2)COOH |
Alanine |
111.6 |
111.2 |
0.4 |
C3H8O2 |
Propylene glycol |
112.2 |
112.7 |
-0.5 |
CH3COCH3 |
Acetone |
116.0 |
116.5 |
-0.5 |
C6H6 |
Benzene |
120.0 |
120.0 |
-0.0 |
C3H8 |
Propane |
112.4 |
112.7 |
-0.3 |
C3H6 |
Cyclopropane |
60.0 |
60.0 |
-0.0 |
CH3CHClCH3 |
Propane, 2-chloro- |
112.7 |
113.3 |
-0.6 |
CH3CHSHCH3 |
2-Propanethiol |
113.6 |
112.2 |
1.4 |
C5H6 |
1-Buten-3-yne, 2-methyl- |
120.3 |
120.8 |
-0.5 |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
111.4 |
113.0 |
-1.6 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
114.4 |
114.3 |
0.1 |
C10H8 |
naphthalene |
119.4 |
119.0 |
0.4 |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
115.2 |
116.4 |
-1.2 |
C6H5NO2 |
Nitrobenzene |
123.4 |
122.2 |
1.2 |
C6H5NO2 |
Nitrobenzene |
117.7 |
118.6 |
-0.9 |
C6H5NO2 |
Nitrobenzene |
120.5 |
120.2 |
0.3 |
C6H5NO2 |
Nitrobenzene |
120.2 |
120.2 |
-0.0 |
CH2CHCHO |
Acrolein |
120.3 |
121.1 |
-0.8 |
CH2CHCHO |
Acrolein |
121.4 |
121.1 |
0.3 |
C2H5CN |
ethyl cyanide |
111.7 |
112.4 |
-0.7 |
C6H5CH3 |
toluene |
119.0 |
118.3 |
0.7 |
C6H5CH3 |
toluene |
120.6 |
121.0 |
-0.3 |
C6H5CH3 |
toluene |
120.2 |
120.1 |
0.0 |
C6H5CH3 |
toluene |
119.4 |
119.5 |
-0.1 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
112.1 |
111.6 |
0.5 |
C4H5N |
Pyrrole |
104.7 |
107.3 |
-2.6 |
C4H4O |
Furan |
106.1 |
106.1 |
-0.0 |
C6H14 |
Hexane |
111.9 |
113.3 |
-1.4 |
C5H9N |
Pentanenitrile |
110.5 |
112.5 |
-2.0 |
C6H10 |
cyclohexene |
123.3 |
123.4 |
-0.1 |
C6H10 |
cyclohexene |
111.6 |
112.5 |
-0.9 |
C6H10 |
cyclohexene |
110.3 |
111.3 |
-1.0 |
C5H11N |
Piperidine |
112.8 |
110.7 |
2.1 |
C5H11N |
Piperidine |
109.3 |
110.6 |
-1.3 |
CH2CHCH3 |
Propene |
124.8 |
124.9 |
-0.1 |
CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
123.9 |
124.5 |
-0.6 |
C4H9N |
Pyrrolidine |
104.9 |
104.4 |
0.5 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
123.5 |
123.7 |
-0.2 |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
125.6 |
126.8 |
-1.2 |
C5H8 |
Cyclopentene |
106.3 |
105.8 |
0.5 |
C5H10O |
2H-Pyran, tetrahydro- |
109.6 |
110.1 |
-0.5 |
C5H10O |
2H-Pyran, tetrahydro- |
110.0 |
110.1 |
-0.1 |
C8H8 |
cubane |
90.0 |
90.0 |
0.0 |
C3H6S |
Thietane |
95.6 |
96.0 |
-0.4 |
C3H8O2 |
1,3-Propanediol |
112.0 |
112.3 |
-0.3 |
C3O2 |
Carbon suboxide |
178.3 |
180.0 |
-1.7 |
C6H5CCH |
phenylacetylene |
120.8 |
119.1 |
1.7 |
C6H5CCH |
phenylacetylene |
119.8 |
120.3 |
-0.5 |
C6H5CCH |
phenylacetylene |
119.9 |
120.2 |
-0.3 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
111.3 |
111.1 |
0.2 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
113.9 |
111.1 |
2.8 |
CH3CH(CH3)ONO |
Isopropyl nitrite |
115.2 |
113.4 |
1.8 |
C5H6 |
1,3-Cyclopentadiene |
101.0 |
103.6 |
-2.6 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
122.9 |
123.7 |
-0.8 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
112.6 |
112.8 |
-0.2 |
C5H10O |
2-Butanone, 3-methyl- |
118.0 |
117.8 |
0.2 |
C5H10O |
2-Butanone, 3-methyl- |
108.0 |
109.6 |
-1.6 |
C5H10O |
2-Butanone, 3-methyl- |
113.4 |
113.1 |
0.3 |
C5H10O |
2-Butanone, 3-methyl- |
111.7 |
111.3 |
0.4 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
113.0 |
113.5 |
-0.5 |
C4H10O |
Propane, 2-methoxy- |
112.7 |
112.1 |
0.6 |
C6H12 |
(E)-3-methylpent-2-ene |
124.5 |
128.5 |
-4.0 |
C6H12 |
(E)-3-methylpent-2-ene |
111.8 |
113.6 |
-1.8 |
C5H6S |
Thiophene, 3-methyl- |
123.0 |
123.5 |
-0.5 |
C5H10 |
2-Pentene, (Z)- |
127.4 |
127.8 |
-0.4 |
C5H10 |
2-Pentene, (Z)- |
112.4 |
112.1 |
0.3 |
C4H5N |
(E)-2-Butenenitrile |
123.2 |
122.3 |
0.9 |
C5H12O |
Butane, 1-methoxy- |
111.1 |
112.6 |
-1.5 |
C6H8 |
1,4-Cyclohexadiene |
123.0 |
123.7 |
-0.7 |
C5H10 |
2-Pentene, (E)- |
125.4 |
124.6 |
0.8 |
C5H10 |
2-Pentene, (E)- |
115.6 |
115.5 |
0.1 |
CH2CHCH2F |
Allyl Fluoride |
124.6 |
124.0 |
0.6 |
CH2CHCH2F |
Allyl Fluoride |
121.6 |
111.2 |
10.4 |
C6H8 |
Bicyclo[2.1.1]hex-2-ene |
108.4 |
103.2 |
5.2 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
123.9 |
124.3 |
-0.4 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
112.0 |
113.7 |
-1.7 |
C10H10 |
bullvalene |
122.6 |
123.7 |
-1.1 |
C4H6O |
Cyclobutanone |
93.1 |
92.5 |
0.6 |
C4H6O |
Cyclobutanone |
88.0 |
88.3 |
-0.3 |
C4H6O |
Cyclobutanone |
90.9 |
91.0 |
-0.1 |
C5H10S |
2H-Thiopyran, tetrahydro- |
112.3 |
112.7 |
-0.4 |
C5H10S |
2H-Thiopyran, tetrahydro- |
113.6 |
113.2 |
0.4 |
C5H10 |
Cyclopropane, 1,1-dimethyl- |
115.6 |
114.6 |
1.0 |
C3H4 |
cyclopropene |
50.8 |
51.0 |
-0.1 |
C3H4 |
cyclopropene |
64.6 |
64.5 |
0.1 |
C4H6 |
1-Methylcyclopropene |
152.8 |
72.6 |
80.2 |
C3H4O |
Methylketene |
122.6 |
123.4 |
-0.8 |
C5H6 |
Cyclopropylacetylene |
119.3 |
119.9 |
-0.6 |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
129.1 |
130.1 |
-1.0 |