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	hartrees
Energy at 0K	-20.318002
Energy at 298.15K	-20.323566
HF Energy	-19.922601
Nuclear repulsion energy	39.830232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3264	33.74
2	A'	3192	3192	17.25
3	A'	3171	3171	33.95
4	A'	3161	3161	12.65
5	A'	3070	3070	31.64
6	A'	1739	1739	7.01
7	A'	1513	1513	13.26
8	A'	1472	1472	1.74
9	A'	1431	1431	0.94
10	A'	1326	1326	0.27
11	A'	1204	1204	0.43
12	A'	950	950	5.40
13	A'	933	933	0.25
14	A'	420	420	0.74
15	A"	3139	3139	35.95
16	A"	1497	1497	9.73
17	A"	1081	1081	4.67
18	A"	1013	1013	31.57
19	A"	869	869	57.72
20	A"	584	584	15.62
21	A"	197	197	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	-1.164	-0.492	0.000
C2	0.000	0.494	0.000
C3	1.317	0.119	0.000
H4	1.615	-0.937	0.000
H5	2.118	0.871	0.000
H6	-0.251	1.564	0.000
H7	-0.798	-1.535	0.000
H8	-1.803	-0.344	0.893
H9	-1.803	-0.344	-0.893

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5252	2.5549	2.8139	3.5537	2.2497	1.1051	1.1080	1.1080
C2	1.5252		1.3694	2.1576	2.1516	1.0990	2.1801	2.1794	2.1794
C3	2.5549	1.3694		1.0973	1.0986	2.1320	2.6849	3.2781	3.2781
H4	2.8139	2.1576	1.0973		1.8765	3.1201	2.4856	3.5818	3.5818
H5	3.5537	2.1516	1.0986	1.8765		2.4683	3.7803	4.2011	4.2011
H6	2.2497	1.0990	2.1320	3.1201	2.4683		3.1469	2.6168	2.6168
H7	1.1051	2.1801	2.6849	2.4856	3.7803	3.1469		1.7959	1.7959
H8	1.1080	2.1794	3.2781	3.5818	4.2011	2.6168	1.7959		1.7856
H9	1.1080	2.1794	3.2781	3.5818	4.2011	2.6168	1.7959	1.7856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.840	C1	C2	H6	117.094
C2	C1	H7	110.943	C2	C1	H8	110.725
C2	C1	H9	110.725	C2	C3	H4	121.630
C2	C3	H5	120.946	C3	C2	H6	119.066
H4	C3	H5	117.424	H7	C1	H8	108.479
H7	C1	H9	108.479	H8	C1	H9	107.375

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP3/CEP-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: MP3/CEP-31G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)