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	hartrees
Energy at 0K	-117.544207
Energy at 298.15K
HF Energy	-117.080946
Nuclear repulsion energy	70.658767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3306	3113	22.47
2	A'	3221	3033	9.09
3	A'	3210	3022	29.26
4	A'	3187	3000	12.64
5	A'	3096	2915	25.17
6	A'	1755	1653	5.75
7	A'	1555	1464	7.21
8	A'	1504	1416	0.96
9	A'	1463	1377	0.79
10	A'	1356	1276	0.40
11	A'	1225	1153	0.12
12	A'	971	914	2.55
13	A'	952	896	0.91
14	A'	429	404	0.74
15	A"	3164	2978	28.02
16	A"	1539	1449	4.31
17	A"	1100	1035	1.91
18	A"	1036	975	12.09
19	A"	933	878	33.33
20	A"	589	555	8.04
21	A"	195	183	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	-1.141	-0.497	0.000
C2	0.000	0.481	0.000
C3	1.293	0.138	0.000
H4	1.604	-0.900	0.000
H5	2.078	0.883	0.000
H6	-0.267	1.533	0.000
H7	-0.776	-1.525	0.000
H8	-1.775	-0.360	0.879
H9	-1.775	-0.360	-0.879

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5030	2.5165	2.7752	3.5027	2.2110	1.0904	1.0924	1.0924
C2	1.5030		1.3380	2.1164	2.1165	1.0861	2.1504	2.1519	2.1519
C3	2.5165	1.3380		1.0835	1.0817	2.0931	2.6551	3.2309	3.2309
H4	2.7752	2.1164	1.0835		1.8445	3.0695	2.4615	3.5338	3.5338
H5	3.5027	2.1165	1.0817	1.8445		2.4332	3.7342	4.1430	4.1430
H6	2.2110	1.0861	2.0931	3.0695	2.4332		3.1004	2.5753	2.5753
H7	1.0904	2.1504	2.6551	2.4615	3.7342	3.1004		1.7686	1.7686
H8	1.0924	2.1519	3.2309	3.5338	4.1430	2.5753	1.7686		1.7578
H9	1.0924	2.1519	3.2309	3.5338	4.1430	2.5753	1.7686	1.7578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.587	C1	C2	H6	116.364
C2	C1	H7	111.027	C2	C1	H8	111.029
C2	C1	H9	111.029	C2	C3	H4	121.505
C2	C3	H5	121.656	C3	C2	H6	119.048
H4	C3	H5	116.839	H7	C1	H8	108.235
H7	C1	H9	108.235	H8	C1	H9	107.137

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: QCISD/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH2CHCH3 (Propene)

using model chemistry: QCISD/6-31G**

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)