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	hartrees
Energy at 0K	-117.546465
Energy at 298.15K
HF Energy	-117.085082
Nuclear repulsion energy	70.656709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	3121	20.14
2	A'	3226	3040	8.80
3	A'	3215	3030	27.77
4	A'	3191	3007	12.37
5	A'	3099	2921	25.67
6	A'	1756	1654	7.99
7	A'	1547	1458	11.24
8	A'	1501	1415	1.29
9	A'	1461	1377	0.97
10	A'	1356	1278	0.24
11	A'	1224	1154	0.20
12	A'	972	916	2.29
13	A'	952	897	1.31
14	A'	430	405	0.66
15	A"	3169	2986	21.74
16	A"	1526	1438	6.02
17	A"	1096	1033	5.53
18	A"	1026	967	18.81
19	A"	927	873	46.50
20	A"	585	551	12.05
21	A"	191	180	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	-1.142	-0.497	0.000
C2	0.000	0.480	0.000
C3	1.294	0.138	0.000
H4	1.605	-0.900	0.000
H5	2.077	0.884	0.000
H6	-0.265	1.533	0.000
H7	-0.777	-1.525	0.000
H8	-1.775	-0.358	0.879
H9	-1.775	-0.358	-0.879

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5031	2.5172	2.7762	3.5024	2.2119	1.0904	1.0921	1.0921
C2	1.5031		1.3383	2.1167	2.1155	1.0861	2.1501	2.1509	2.1509
C3	2.5172	1.3383		1.0834	1.0815	2.0922	2.6555	3.2304	3.2304
H4	2.7762	2.1167	1.0834		1.8454	3.0688	2.4623	3.5339	3.5339
H5	3.5024	2.1155	1.0815	1.8454		2.4299	3.7343	4.1413	4.1413
H6	2.2119	1.0861	2.0922	3.0688	2.4299		3.1006	2.5752	2.5752
H7	1.0904	2.1501	2.6555	2.4623	3.7343	3.1006		1.7689	1.7689
H8	1.0921	2.1509	3.2304	3.5339	4.1413	2.5752	1.7689		1.7583
H9	1.0921	2.1509	3.2304	3.5339	4.1413	2.5752	1.7689	1.7583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.618	C1	C2	H6	116.438
C2	C1	H7	111.002	C2	C1	H8	110.955
C2	C1	H9	110.955	C2	C3	H4	121.506
C2	C3	H5	121.546	C3	C2	H6	118.945
H4	C3	H5	116.949	H7	C1	H8	108.284
H7	C1	H9	108.284	H8	C1	H9	107.221

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)