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	hartrees
Energy at 0K	-117.554603
Energy at 298.15K
HF Energy	-117.092713
Nuclear repulsion energy	70.669289

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'	3279	3106	17.07	60.17	0.65	0.79
2	A'	3191	3022	16.05	109.63	0.13	0.23
3	A'	3179	3011	21.16	57.29	0.28	0.44
4	A'	3169	3001	3.29	86.58	0.74	0.85
5	A'	3074	2911	20.44	142.60	0.02	0.03
6	A'	1717	1626	7.64	4.34	0.04	0.07
7	A'	1536	1455	16.29	11.30	0.67	0.80
8	A'	1478	1400	2.25	13.81	0.63	0.77
9	A'	1443	1366	3.76	3.72	0.73	0.84
10	A'	1340	1269	0.14	12.57	0.40	0.57
11	A'	1214	1150	0.33	1.88	0.74	0.85
12	A'	964	913	4.49	0.36	0.54	0.70
13	A'	950	899	1.46	4.51	0.17	0.29
14	A'	430	408	0.76	1.20	0.41	0.58
15	A"	3149	2982	19.10	84.96	0.75	0.86
16	A"	1520	1440	9.77	11.13	0.75	0.86
17	A"	1087	1030	1.34	0.35	0.75	0.86
18	A"	1024	969	20.46	0.41	0.75	0.86
19	A"	902	854	48.06	0.40	0.75	0.86
20	A"	584	553	13.69	8.28	0.75	0.86
21	A"	194	183	0.37	1.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.141	-0.494	0.000
C2	0.000	0.479	0.000
C3	1.293	0.134	0.000
H4	1.601	-0.907	0.000
H5	2.078	0.882	0.000
H6	-0.261	1.537	0.000
H7	-0.780	-1.524	0.000
H8	-1.776	-0.353	0.879
H9	-1.776	-0.353	-0.879

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4992	2.5131	2.7724	3.5003	2.2131	1.0920	1.0939	1.0939
C2	1.4992		1.3380	2.1177	2.1167	1.0893	2.1499	2.1496	2.1496
C3	2.5131	1.3380		1.0861	1.0842	2.0929	2.6544	3.2293	3.2293
H4	2.7724	2.1177	1.0861		1.8516	3.0722	2.4592	3.5331	3.5331
H5	3.5003	2.1167	1.0842	1.8516		2.4287	3.7358	4.1416	4.1416
H6	2.2131	1.0893	2.0929	3.0722	2.4287		3.1050	2.5774	2.5774
H7	1.0920	2.1499	2.6544	2.4592	3.7358	3.1050		1.7712	1.7712
H8	1.0939	2.1496	3.2293	3.5331	4.1416	2.5774	1.7712		1.7585
H9	1.0939	2.1496	3.2293	3.5331	4.1416	2.5774	1.7712	1.7585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.594	C1	C2	H6	116.624
C2	C1	H7	111.168	C2	C1	H8	111.021
C2	C1	H9	111.021	C2	C3	H4	121.417
C2	C3	H5	121.470	C3	C2	H6	118.782
H4	C3	H5	117.112	H7	C1	H8	108.245
H7	C1	H9	108.245	H8	C1	H9	106.983

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)