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	hartrees
Energy at 0K	-20.323059
Energy at 298.15K	-20.328610
HF Energy	-19.922251
Nuclear repulsion energy	39.775959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	3052	36.76
2	A'	3165	2985	16.58
3	A'	3145	2966	43.11
4	A'	3134	2956	8.86
5	A'	3045	2872	33.54
6	A'	1733	1635	5.89
7	A'	1506	1420	12.26
8	A'	1466	1383	1.64
9	A'	1426	1344	0.79
10	A'	1320	1245	0.34
11	A'	1199	1131	0.39
12	A'	946	893	4.96
13	A'	929	876	0.20
14	A'	419	395	0.68
15	A"	3113	2935	38.61
16	A"	1490	1406	9.17
17	A"	1077	1016	4.19
18	A"	1005	948	30.22
19	A"	875	825	54.71
20	A"	581	548	15.28
21	A"	194	183	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	-1.165	-0.493	0.000
C2	0.000	0.494	0.000
C3	1.318	0.120	0.000
H4	1.619	-0.937	0.000
H5	2.121	0.874	0.000
H6	-0.252	1.566	0.000
H7	-0.799	-1.538	0.000
H8	-1.805	-0.345	0.894
H9	-1.805	-0.345	-0.894

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5263	2.5577	2.8189	3.5584	2.2519	1.1073	1.1101	1.1101
C2	1.5263		1.3703	2.1607	2.1546	1.1015	2.1834	2.1825	2.1825
C3	2.5577	1.3703		1.0995	1.1009	2.1345	2.6899	3.2826	3.2826
H4	2.8189	2.1607	1.0995		1.8797	3.1252	2.4918	3.5884	3.5884
H5	3.5584	2.1546	1.1009	1.8797		2.4715	3.7876	4.2073	4.2073
H6	2.2519	1.1015	2.1345	3.1252	2.4715		3.1519	2.6201	2.6201
H7	1.1073	2.1834	2.6899	2.4918	3.7876	3.1519		1.7987	1.7987
H8	1.1101	2.1825	3.2826	3.5884	4.2073	2.6201	1.7987		1.7889
H9	1.1101	2.1825	3.2826	3.5884	4.2073	2.6201	1.7987	1.7889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.926	C1	C2	H6	117.034
C2	C1	H7	110.999	C2	C1	H8	110.760
C2	C1	H9	110.760	C2	C3	H4	121.669
C2	C3	H5	120.973	C3	C2	H6	119.040
H4	C3	H5	117.357	H7	C1	H8	108.421
H7	C1	H9	108.421	H8	C1	H9	107.360

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCD/CEP-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: CCD/CEP-31G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)