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	hartrees
Energy at 0K	-117.469658
Energy at 298.15K
HF Energy	-117.070676
Nuclear repulsion energy	70.702424

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'	3305	3114	16.02	54.41	0.65	0.79
2	A'	3217	3031	6.63	129.06	0.12	0.21
3	A'	3208	3022	26.01	12.60	0.51	0.68
4	A'	3193	3008	4.89	80.47	0.74	0.85
5	A'	3098	2919	18.26	120.57	0.02	0.04
6	A'	1743	1642	5.38	3.76	0.14	0.25
7	A'	1560	1470	10.66	16.73	0.72	0.84
8	A'	1503	1416	1.54	17.54	0.57	0.73
9	A'	1465	1381	1.64	5.99	0.75	0.86
10	A'	1358	1280	0.23	13.19	0.48	0.65
11	A'	1229	1158	0.29	3.38	0.74	0.85
12	A'	976	920	4.46	0.72	0.44	0.61
13	A'	959	904	0.83	4.51	0.22	0.36
14	A'	433	408	0.76	0.91	0.37	0.54
15	A"	3173	2990	18.99	82.39	0.75	0.86
16	A"	1545	1456	6.72	16.77	0.75	0.86
17	A"	1106	1042	0.81	0.32	0.75	0.86
18	A"	1042	982	15.41	0.25	0.75	0.86
19	A"	930	876	40.33	0.05	0.75	0.86
20	A"	594	560	10.47	13.16	0.75	0.86
21	A"	201	189	0.40	1.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.140	-0.492	0.000
C2	0.000	0.479	0.000
C3	1.291	0.134	0.000
H4	1.599	-0.908	0.000
H5	2.080	0.877	0.000
H6	-0.263	1.537	0.000
H7	-0.775	-1.523	0.000
H8	-1.776	-0.354	0.880
H9	-1.776	-0.354	-0.880

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4976	2.5101	2.7703	3.4992	2.2102	1.0931	1.0949	1.0949
C2	1.4976		1.3367	2.1173	2.1182	1.0893	2.1470	2.1501	2.1501
C3	2.5101	1.3367		1.0863	1.0846	2.0936	2.6482	3.2278	3.2278
H4	2.7703	2.1173	1.0863		1.8493	3.0730	2.4527	3.5317	3.5317
H5	3.4992	2.1182	1.0846	1.8493		2.4341	3.7303	4.1426	4.1426
H6	2.2102	1.0893	2.0936	3.0730	2.4341		3.1019	2.5765	2.5765
H7	1.0931	2.1470	2.6482	2.4527	3.7303	3.1019		1.7726	1.7726
H8	1.0949	2.1501	3.2278	3.5317	4.1426	2.5765	1.7726		1.7608
H9	1.0949	2.1501	3.2278	3.5317	4.1426	2.5765	1.7726	1.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.551	C1	C2	H6	116.494
C2	C1	H7	110.974	C2	C1	H8	111.111
C2	C1	H9	111.111	C2	C3	H4	121.472
C2	C3	H5	121.696	C3	C2	H6	118.954
H4	C3	H5	116.832	H7	C1	H8	108.224
H7	C1	H9	108.224	H8	C1	H9	107.044

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)