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	hartrees
Energy at 0K	-117.494560
Energy at 298.15K	-117.500243
HF Energy	-117.085473
Nuclear repulsion energy	70.954139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3367	3111	19.29
2	A'	3283	3034	9.02
3	A'	3272	3023	24.84
4	A'	3245	2999	12.83
5	A'	3154	2914	26.14
6	A'	1803	1666	11.39
7	A'	1574	1454	12.58
8	A'	1530	1414	1.12
9	A'	1488	1375	1.08
10	A'	1385	1280	0.11
11	A'	1249	1154	0.29
12	A'	990	915	2.47
13	A'	969	895	1.55
14	A'	438	405	0.75
15	A"	3222	2977	21.64
16	A"	1554	1436	6.60
17	A"	1124	1038	6.80
18	A"	1063	982	16.24
19	A"	978	903	53.45
20	A"	606	560	12.83
21	A"	199	184	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	-1.136	-0.501	0.000
C2	0.000	0.476	0.000
C3	1.288	0.145	0.000
H4	1.606	-0.886	0.000
H5	2.063	0.893	0.000
H6	-0.270	1.524	0.000
H7	-0.773	-1.524	0.000
H8	-1.767	-0.362	0.876
H9	-1.767	-0.362	-0.876

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4991	2.5086	2.7690	3.4896	2.2026	1.0858	1.0876	1.0876
C2	1.4991		1.3297	2.1061	2.1043	1.0815	2.1450	2.1426	2.1426
C3	2.5086	1.3297		1.0790	1.0773	2.0804	2.6518	3.2174	3.2174
H4	2.7690	2.1061	1.0790		1.8370	3.0540	2.4628	3.5233	3.5233
H5	3.4896	2.1043	1.0773	1.8370		2.4164	3.7261	4.1237	4.1237
H6	2.2026	1.0815	2.0804	3.0540	2.4164		3.0894	2.5619	2.5619
H7	1.0858	2.1450	2.6518	2.4628	3.7261	3.0894		1.7619	1.7619
H8	1.0876	2.1426	3.2174	3.5233	4.1237	2.5619	1.7619		1.7510
H9	1.0876	2.1426	3.2174	3.5233	4.1237	2.5619	1.7619	1.7510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.844	C1	C2	H6	116.252
C2	C1	H7	111.151	C2	C1	H8	110.849
C2	C1	H9	110.849	C2	C3	H4	121.595
C2	C3	H5	121.559	C3	C2	H6	118.904
H4	C3	H5	116.846	H7	C1	H8	108.320
H7	C1	H9	108.320	H8	C1	H9	107.215

All results from a given calculation for CH₂CHCH₃ (Propene)

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

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)