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	hartrees
Energy at 0K	-115.833272
Energy at 298.15K
HF Energy	-115.656240
Nuclear repulsion energy	69.678079

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'	3615	3152	0.53	28.11	0.72	0.84
2	A'	3553	3098	1.79	20.33	0.68	0.81
3	A'	3507	3058	2.64	49.71	0.30	0.46
4	A'	3458	3015	5.52	25.33	0.14	0.25
5	A'	3365	2934	2.45	42.33	0.01	0.03
6	A'	1834	1599	0.58	10.59	0.75	0.86
7	A'	1727	1506	1.96	14.22	0.74	0.85
8	A'	1627	1419	0.53	9.08	0.62	0.77
9	A'	1591	1388	4.35	5.93	0.73	0.85
10	A'	1431	1248	1.90	11.98	0.64	0.78
11	A'	1302	1135	1.07	5.89	0.71	0.83
12	A'	1037	904	2.14	0.56	0.39	0.56
13	A'	1005	877	0.10	4.40	0.34	0.51
14	A'	437	381	0.29	0.68	0.43	0.60
15	A"	3532	3079	2.02	34.25	0.75	0.86
16	A"	1722	1501	1.77	13.90	0.75	0.86
17	A"	1188	1036	0.12	0.16	0.75	0.86
18	A"	1137	991	4.06	0.10	0.75	0.86
19	A"	997	869	12.20	0.00	0.75	0.86
20	A"	617	538	3.51	6.80	0.75	0.86
21	A"	173	151	0.10	1.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.154	-0.524	0.000
C2	0.000	0.492	0.000
C3	1.306	0.158	0.000
H4	1.632	-0.891	0.000
H5	2.096	0.920	0.000
H6	-0.289	1.556	0.000
H7	-0.766	-1.557	0.000
H8	-1.793	-0.391	0.892
H9	-1.793	-0.391	-0.892

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5374	2.5520	2.8095	3.5559	2.2523	1.1032	1.1052	1.1052
C2	1.5374		1.3479	2.1394	2.1391	1.1021	2.1874	2.1883	2.1883
C3	2.5520	1.3479		1.0984	1.0980	2.1209	2.6888	3.2706	3.2706
H4	2.8095	2.1394	1.0984		1.8699	3.1110	2.4881	3.5741	3.5741
H5	3.5559	2.1391	1.0980	1.8699		2.4682	3.7845	4.1994	4.1994
H6	2.2523	1.1021	2.1209	3.1110	2.4682		3.1488	2.6162	2.6162
H7	1.1032	2.1874	2.6888	2.4881	3.7845	3.1488		1.7917	1.7917
H8	1.1052	2.1883	3.2706	3.5741	4.1994	2.6162	1.7917		1.7832
H9	1.1052	2.1883	3.2706	3.5741	4.1994	2.6162	1.7917	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.242	C1	C2	H6	116.172
C2	C1	H7	110.793	C2	C1	H8	110.742
C2	C1	H9	110.742	C2	C3	H4	121.647
C2	C3	H5	121.644	C3	C2	H6	119.587
H4	C3	H5	116.710	H7	C1	H8	108.452
H7	C1	H9	108.452	H8	C1	H9	107.553

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)