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	hartrees
Energy at 0K	-115.834617
Energy at 298.15K
HF Energy	-115.656280
Nuclear repulsion energy	69.686823

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	3214	0.52	28.09	0.72	0.84
2	A'	3554	3159	1.78	20.34	0.68	0.81
3	A'	3508	3118	2.64	49.68	0.30	0.46
4	A'	3459	3075	5.51	25.30	0.14	0.25
5	A'	3366	2992	2.45	42.32	0.01	0.03
6	A'	1834	1631	0.58	10.54	0.75	0.86
7	A'	1727	1535	1.97	14.24	0.74	0.85
8	A'	1627	1447	0.53	9.09	0.62	0.77
9	A'	1591	1415	4.33	5.94	0.73	0.85
10	A'	1431	1272	1.90	11.99	0.64	0.78
11	A'	1302	1158	1.07	5.88	0.71	0.83
12	A'	1037	922	2.15	0.57	0.39	0.56
13	A'	1006	894	0.10	4.38	0.34	0.51
14	A'	437	389	0.29	0.68	0.43	0.60
15	A"	3533	3140	2.01	34.24	0.75	0.86
16	A"	1722	1531	1.78	13.90	0.75	0.86
17	A"	1188	1056	0.12	0.16	0.75	0.86
18	A"	1137	1011	4.05	0.10	0.75	0.86
19	A"	997	886	12.19	0.00	0.75	0.86
20	A"	617	549	3.51	6.80	0.75	0.86
21	A"	173	154	0.10	1.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.153	-0.524	0.000
C2	0.000	0.492	0.000
C3	1.306	0.157	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	-0.390	0.892
H9	-1.793	-0.390	-0.892

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5371	2.5516	2.8092	3.5554	2.2520	1.1031	1.1051	1.1051
C2	1.5371		1.3478	2.1392	2.1389	1.1020	2.1871	2.1880	2.1880
C3	2.5516	1.3478		1.0984	1.0980	2.1207	2.6885	3.2702	3.2702
H4	2.8092	2.1392	1.0984		1.8697	3.1107	2.4879	3.5738	3.5738
H5	3.5554	2.1389	1.0980	1.8697		2.4679	3.7842	4.1990	4.1990
H6	2.2520	1.1020	2.1207	3.1107	2.4679		3.1484	2.6158	2.6158
H7	1.1031	2.1871	2.6885	2.4879	3.7842	3.1484		1.7915	1.7915
H8	1.1051	2.1880	3.2702	3.5738	4.1990	2.6158	1.7915		1.7830
H9	1.1051	2.1880	3.2702	3.5738	4.1990	2.6158	1.7915	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.247	C1	C2	H6	116.171
C2	C1	H7	110.798	C2	C1	H8	110.746
C2	C1	H9	110.746	C2	C3	H4	121.648
C2	C3	H5	121.645	C3	C2	H6	119.581
H4	C3	H5	116.707	H7	C1	H8	108.448
H7	C1	H9	108.448	H8	C1	H9	107.548

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2=FULL/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=FULL/STO-3G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)