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	hartrees
Energy at 0K	-117.543525
Energy at 298.15K
HF Energy	-117.080987
Nuclear repulsion energy	70.678228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3309	3086	22.07
2	A'	3224	3007	9.18
3	A'	3213	2996	29.00
4	A'	3190	2975	12.24
5	A'	3099	2890	24.76
6	A'	1759	1641	5.48
7	A'	1555	1451	7.27
8	A'	1505	1404	0.95
9	A'	1463	1365	0.77
10	A'	1357	1265	0.44
11	A'	1226	1143	0.11
12	A'	972	906	2.57
13	A'	953	889	0.91
14	A'	429	400	0.74
15	A"	3167	2953	27.52
16	A"	1540	1436	4.36
17	A"	1101	1027	1.90
18	A"	1036	967	12.11
19	A"	934	872	33.37
20	A"	590	550	8.09
21	A"	195	182	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	-1.141	-0.498	0.000
C2	0.000	0.480	0.000
C3	1.293	0.138	0.000
H4	1.604	-0.899	0.000
H5	2.077	0.883	0.000
H6	-0.267	1.533	0.000
H7	-0.776	-1.525	0.000
H8	-1.775	-0.360	0.879
H9	-1.775	-0.360	-0.879

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5028	2.5156	2.7742	3.5018	2.2106	1.0902	1.0922	1.0922
C2	1.5028		1.3374	2.1157	2.1157	1.0859	2.1500	2.1516	2.1516
C3	2.5156	1.3374		1.0833	1.0815	2.0925	2.6542	3.2299	3.2299
H4	2.7742	2.1157	1.0833		1.8441	3.0687	2.4605	3.5326	3.5326
H5	3.5018	2.1157	1.0815	1.8441		2.4326	3.7331	4.1419	4.1419
H6	2.2106	1.0859	2.0925	3.0687	2.4326		3.0998	2.5749	2.5749
H7	1.0902	2.1500	2.6542	2.4605	3.7331	3.0998		1.7683	1.7683
H8	1.0922	2.1516	3.2299	3.5326	4.1419	2.5749	1.7683		1.7576
H9	1.0922	2.1516	3.2299	3.5326	4.1419	2.5749	1.7683	1.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.580	C1	C2	H6	116.362
C2	C1	H7	111.022	C2	C1	H8	111.027
C2	C1	H9	111.027	C2	C3	H4	121.509
C2	C3	H5	121.658	C3	C2	H6	119.058
H4	C3	H5	116.833	H7	C1	H8	108.237
H7	C1	H9	108.237	H8	C1	H9	107.142

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD/6-31G**

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: CCSD/6-31G**

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)