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	hartrees
Energy at 0K	-20.180605
Energy at 298.15K	-20.186135
HF Energy	-19.884993
Nuclear repulsion energy	39.765822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3171	41.65
2	A'	3088	3088	20.43
3	A'	3067	3067	30.25
4	A'	3040	3040	24.18
5	A'	2943	2943	35.68
6	A'	1671	1671	7.43
7	A'	1522	1522	11.15
8	A'	1472	1472	3.09
9	A'	1449	1449	1.91
10	A'	1328	1328	0.12
11	A'	1202	1202	0.50
12	A'	955	955	2.51
13	A'	917	917	1.13
14	A'	419	419	0.49
15	A"	3024	3024	40.66
16	A"	1490	1490	8.03
17	A"	1083	1083	4.54
18	A"	982	982	25.92
19	A"	827	827	50.68
20	A"	557	557	9.37
21	A"	174	174	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	-1.166	-0.507	0.000
C2	0.000	0.493	0.000
C3	1.320	0.139	0.000
H4	1.633	-0.912	0.000
H5	2.117	0.889	0.000
H6	-0.273	1.557	0.000
H7	-0.789	-1.546	0.000
H8	-1.805	-0.369	0.893
H9	-1.805	-0.369	-0.893

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5367	2.5692	2.8289	3.5677	2.2495	1.1049	1.1064	1.1064
C2	1.5367		1.3670	2.1548	2.1533	1.0988	2.1861	2.1908	2.1908
C3	2.5692	1.3670		1.0967	1.0944	2.1336	2.6991	3.2899	3.2899
H4	2.8289	2.1548	1.0967		1.8654	3.1201	2.5035	3.5938	3.5938
H5	3.5677	2.1533	1.0944	1.8654		2.4815	3.7908	4.2144	4.2144
H6	2.2495	1.0988	2.1336	3.1201	2.4815		3.1455	2.6184	2.6184
H7	1.1049	2.1861	2.6991	2.5035	3.7908	3.1455		1.7927	1.7927
H8	1.1064	2.1908	3.2899	3.5938	4.2144	2.6184	1.7927		1.7855
H9	1.1064	2.1908	3.2899	3.5938	4.2144	2.6184	1.7927	1.7855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.350	C1	C2	H6	116.213
C2	C1	H7	110.636	C2	C1	H8	110.924
C2	C1	H9	110.924	C2	C3	H4	121.617
C2	C3	H5	121.659	C3	C2	H6	119.437
H4	C3	H5	116.724	H7	C1	H8	108.326
H7	C1	H9	108.326	H8	C1	H9	107.591

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP3/CEP-121G

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-121G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)