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	hartrees
Energy at 0K	-117.543654
Energy at 298.15K
HF Energy	-117.102515
Nuclear repulsion energy	70.620689

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'	3277	3113	16.05	61.09	0.65	0.78
2	A'	3188	3029	14.15	120.09	0.14	0.25
3	A'	3176	3017	19.28	50.95	0.25	0.40
4	A'	3163	3006	5.54	85.97	0.74	0.85
5	A'	3068	2915	20.89	150.92	0.02	0.03
6	A'	1706	1621	7.27	4.86	0.04	0.07
7	A'	1515	1440	12.65	10.66	0.67	0.80
8	A'	1463	1390	1.51	13.79	0.62	0.77
9	A'	1420	1349	1.65	3.47	0.74	0.85
10	A'	1324	1258	0.24	12.29	0.40	0.57
11	A'	1199	1139	0.20	1.69	0.70	0.82
12	A'	950	903	4.78	1.74	0.29	0.45
13	A'	942	895	0.14	3.40	0.14	0.25
14	A'	424	403	0.78	1.24	0.41	0.58
15	A"	3143	2987	19.27	83.65	0.75	0.86
16	A"	1498	1424	7.14	10.34	0.75	0.86
17	A"	1075	1022	2.34	0.35	0.75	0.86
18	A"	1026	975	17.50	0.37	0.75	0.86
19	A"	907	862	39.14	0.45	0.75	0.86
20	A"	582	553	11.24	7.45	0.75	0.86
21	A"	200	190	0.42	1.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.141	-0.494	0.000
C2	0.000	0.481	0.000
C3	1.293	0.133	0.000
H4	1.595	-0.911	0.000
H5	2.079	0.881	0.000
H6	-0.260	1.539	0.000
H7	-0.775	-1.525	0.000
H8	-1.775	-0.354	0.882
H9	-1.775	-0.354	-0.882

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5013	2.5137	2.7671	3.5017	2.2161	1.0934	1.0952	1.0952
C2	1.5013		1.3390	2.1166	2.1173	1.0894	2.1505	2.1509	2.1509
C3	2.5137	1.3390		1.0867	1.0848	2.0950	2.6506	3.2295	3.2295
H4	2.7671	2.1166	1.0867		1.8558	3.0728	2.4478	3.5276	3.5276
H5	3.5017	2.1173	1.0848	1.8558		2.4305	3.7326	4.1424	4.1424
H6	2.2161	1.0894	2.0950	3.0728	2.4305		3.1067	2.5797	2.5797
H7	1.0934	2.1505	2.6506	2.4478	3.7326	3.1067		1.7747	1.7747
H8	1.0952	2.1509	3.2295	3.5276	4.1424	2.5797	1.7747		1.7630
H9	1.0952	2.1509	3.2295	3.5276	4.1424	2.5797	1.7747	1.7630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.403	C1	C2	H6	116.710
C2	C1	H7	110.973	C2	C1	H8	110.895
C2	C1	H9	110.895	C2	C3	H4	121.172
C2	C3	H5	121.393	C3	C2	H6	118.888
H4	C3	H5	117.435	H7	C1	H8	108.370
H7	C1	H9	108.370	H8	C1	H9	107.206

All results from a given calculation for CH₂CHCH₃ (Propene)

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

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: MP2/6-311G**

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)