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	hartrees
Energy at 0K	-20.116738
Energy at 298.15K
HF Energy	-19.874359
Nuclear repulsion energy	39.443145

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'	3243	3134	54.77	55.92	0.55	0.71
2	A'	3156	3049	23.86	126.82	0.21	0.34
3	A'	3135	3030	71.44	51.30	0.53	0.69
4	A'	3126	3020	1.60	60.53	0.73	0.84
5	A'	3024	2922	42.06	158.38	0.01	0.03
6	A'	1665	1609	5.70	4.66	0.17	0.29
7	A'	1527	1476	13.18	15.21	0.70	0.83
8	A'	1475	1426	3.17	9.84	0.72	0.84
9	A'	1450	1401	1.77	7.30	0.64	0.78
10	A'	1331	1286	0.09	12.30	0.39	0.56
11	A'	1206	1166	0.99	6.92	0.63	0.77
12	A'	955	923	5.00	1.98	0.32	0.49
13	A'	920	889	0.80	7.11	0.26	0.41
14	A'	416	402	0.56	2.60	0.59	0.75
15	A"	3112	3007	53.85	75.24	0.75	0.86
16	A"	1503	1452	10.86	18.94	0.75	0.86
17	A"	1090	1054	3.63	5.97	0.75	0.86
18	A"	1010	976	38.19	0.55	0.75	0.86
19	A"	864	835	63.12	6.05	0.75	0.86
20	A"	579	560	16.66	5.02	0.75	0.86
21	A"	189	182	0.48	1.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.181	-0.494	0.000
C2	0.000	0.499	0.000
C3	1.337	0.118	0.000
H4	1.636	-0.943	0.000
H5	2.142	0.871	0.000
H6	-0.251	1.575	0.000
H7	-0.816	-1.543	0.000
H8	-1.823	-0.349	0.897
H9	-1.823	-0.349	-0.897

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5433	2.5913	2.8521	3.5928	2.2691	1.1104	1.1127	1.1127
C2	1.5433		1.3903	2.1803	2.1743	1.1049	2.1988	2.2018	2.2018
C3	2.5913	1.3903		1.1015	1.1027	2.1553	2.7185	3.3179	3.3179
H4	2.8521	2.1803	1.1015		1.8829	3.1460	2.5235	3.6221	3.6221
H5	3.5928	2.1743	1.1027	1.8829		2.4945	3.8176	4.2446	4.2446
H6	2.2691	1.1049	2.1553	3.1460	2.4945		3.1688	2.6420	2.6420
H7	1.1104	2.1988	2.7185	2.5235	3.8176	3.1688		1.8014	1.8014
H8	1.1127	2.2018	3.3179	3.6221	4.2446	2.6420	1.8014		1.7942
H9	1.1127	2.2018	3.3179	3.6221	4.2446	2.6420	1.8014	1.7942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.007	C1	C2	H6	116.954
C2	C1	H7	110.845	C2	C1	H8	110.949
C2	C1	H9	110.949	C2	C3	H4	121.657
C2	C3	H5	120.988	C3	C2	H6	119.040
H4	C3	H5	117.355	H7	C1	H8	108.254
H7	C1	H9	108.254	H8	C1	H9	107.464

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2/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: MP2/CEP-31G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)