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	hartrees
Energy at 0K	-117.634951
Energy at 298.15K
HF Energy	-117.117419
Nuclear repulsion energy	70.874005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3269	3269	11.09	56.82	0.60	0.75
2	A'	3182	3182	11.26	129.44	0.10	0.18
3	A'	3169	3169	13.74	57.47	0.13	0.22
4	A'	3156	3156	4.84	77.89	0.73	0.84
5	A'	3062	3062	18.45	197.77	0.01	0.03
6	A'	1699	1699	10.86	21.04	0.01	0.03
7	A'	1513	1513	14.22	5.68	0.51	0.67
8	A'	1458	1458	1.42	12.92	0.42	0.59
9	A'	1413	1413	1.79	1.20	0.66	0.80
10	A'	1325	1325	0.10	16.09	0.24	0.39
11	A'	1197	1197	0.13	0.99	0.50	0.67
12	A'	946	946	5.25	1.75	0.11	0.19
13	A'	940	940	0.39	5.92	0.05	0.09
14	A'	421	421	0.90	1.71	0.32	0.49
15	A"	3136	3136	11.71	71.80	0.75	0.86
16	A"	1499	1499	6.58	3.90	0.75	0.86
17	A"	1075	1075	2.68	0.36	0.75	0.86
18	A"	1029	1029	14.66	0.48	0.75	0.86
19	A"	935	935	40.05	1.93	0.75	0.86
20	A"	588	588	11.75	0.87	0.75	0.86
21	A"	207	207	0.49	0.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.137	-0.492	0.000
C2	0.000	0.479	0.000
C3	1.289	0.132	0.000
H4	1.587	-0.909	0.000
H5	2.073	0.877	0.000
H6	-0.256	1.534	0.000
H7	-0.774	-1.518	0.000
H8	-1.770	-0.350	0.877
H9	-1.770	-0.350	-0.877

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4953	2.5051	2.7558	3.4892	2.2091	1.0892	1.0909	1.0909
C2	1.4953		1.3350	2.1085	2.1103	1.0853	2.1421	2.1428	2.1428
C3	2.5051	1.3350		1.0829	1.0809	2.0863	2.6415	3.2189	3.2189
H4	2.7558	2.1085	1.0829		1.8508	3.0602	2.4376	3.5145	3.5145
H5	3.4892	2.1103	1.0809	1.8508		2.4194	3.7197	4.1282	4.1282
H6	2.2091	1.0853	2.0863	3.0602	2.4194		3.0959	2.5716	2.5716
H7	1.0892	2.1421	2.6415	2.4376	3.7197	3.0959		1.7684	1.7684
H8	1.0909	2.1428	3.2189	3.5145	4.1282	2.5716	1.7684		1.7542
H9	1.0909	2.1428	3.2189	3.5145	4.1282	2.5716	1.7684	1.7542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.431	C1	C2	H6	116.855
C2	C1	H7	110.982	C2	C1	H8	110.927
C2	C1	H9	110.927	C2	C3	H4	121.034
C2	C3	H5	121.375	C3	C2	H6	118.714
H4	C3	H5	117.590	H7	C1	H8	108.419
H7	C1	H9	108.419	H8	C1	H9	107.029

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2/daug-cc-pVTZ

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: MP2/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)