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	hartrees
Energy at 0K	-20.325750
Energy at 298.15K	-20.331294
HF Energy	-19.922107
Nuclear repulsion energy	39.755193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3049	38.05
2	A'	3161	2981	16.69
3	A'	3141	2962	42.80
4	A'	3129	2951	12.55
5	A'	3042	2869	35.83
6	A'	1720	1622	6.91
7	A'	1505	1420	12.18
8	A'	1465	1381	1.63
9	A'	1424	1343	0.70
10	A'	1317	1242	0.24
11	A'	1198	1130	0.37
12	A'	945	891	4.97
13	A'	927	874	0.18
14	A'	417	393	0.69
15	A"	3106	2929	41.05
16	A"	1490	1405	8.86
17	A"	1075	1014	4.06
18	A"	1000	943	30.47
19	A"	868	819	54.80
20	A"	578	545	14.77
21	A"	193	182	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	-1.166	-0.491	0.000
C2	0.000	0.494	0.000
C3	1.320	0.118	0.000
H4	1.619	-0.940	0.000
H5	2.123	0.871	0.000
H6	-0.250	1.566	0.000
H7	-0.802	-1.537	0.000
H8	-1.807	-0.342	0.895
H9	-1.807	-0.342	-0.895

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5266	2.5600	2.8210	3.5605	2.2523	1.1073	1.1102	1.1102
C2	1.5266		1.3726	2.1626	2.1566	1.1014	2.1835	2.1824	2.1824
C3	2.5600	1.3726		1.0996	1.1009	2.1364	2.6915	3.2846	3.2846
H4	2.8210	2.1626	1.0996		1.8801	3.1268	2.4935	3.5905	3.5905
H5	3.5605	2.1566	1.1009	1.8801		2.4735	3.7891	4.2091	4.2091
H6	2.2523	1.1014	2.1364	3.1268	2.4735		3.1521	2.6200	2.6200
H7	1.1073	2.1835	2.6915	2.4935	3.7891	3.1521		1.7991	1.7991
H8	1.1102	2.1824	3.2846	3.5905	4.2091	2.6200	1.7991		1.7891
H9	1.1102	2.1824	3.2846	3.5905	4.2091	2.6200	1.7991	1.7891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.928	C1	C2	H6	117.046
C2	C1	H7	110.992	C2	C1	H8	110.729
C2	C1	H9	110.729	C2	C3	H4	121.645
C2	C3	H5	120.960	C3	C2	H6	119.026
H4	C3	H5	117.395	H7	C1	H8	108.452
H7	C1	H9	108.452	H8	C1	H9	107.369

All results from a given calculation for CH₂CHCH₃ (Propene)

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

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)