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	hartrees
Energy at 0K	-117.583143
Energy at 298.15K
HF Energy	-117.102382
Nuclear repulsion energy	70.485457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3246	20.57
2	A'	3167	3167	11.61
3	A'	3154	3154	22.94
4	A'	3131	3131	12.74
5	A'	3047	3047	24.80
6	A'	1724	1724	7.74
7	A'	1518	1518	10.63
8	A'	1471	1471	1.32
9	A'	1431	1431	0.93
10	A'	1330	1330	0.28
11	A'	1203	1203	0.21
12	A'	954	954	2.93
13	A'	939	939	0.93
14	A'	424	424	0.76
15	A"	3108	3108	25.39
16	A"	1502	1502	5.99
17	A"	1081	1081	3.02
18	A"	1020	1020	15.31
19	A"	918	918	37.70
20	A"	582	582	10.20
21	A"	194	194	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	-1.143	-0.501	0.000
C2	0.000	0.481	0.000
C3	1.295	0.141	0.000
H4	1.607	-0.902	0.000
H5	2.079	0.892	0.000
H6	-0.269	1.538	0.000
H7	-0.774	-1.533	0.000
H8	-1.778	-0.361	0.883
H9	-1.778	-0.361	-0.883

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5069	2.5203	2.7782	3.5102	2.2188	1.0953	1.0972	1.0972
C2	1.5069		1.3388	2.1202	2.1195	1.0907	2.1576	2.1567	2.1567
C3	2.5203	1.3388		1.0884	1.0865	2.0973	2.6608	3.2363	3.2363
H4	2.7782	2.1202	1.0884		1.8555	3.0779	2.4628	3.5395	3.5395
H5	3.5102	2.1195	1.0865	1.8555		2.4355	3.7446	4.1509	4.1509
H6	2.2188	1.0907	2.0973	3.0779	2.4355		3.1123	2.5819	2.5819
H7	1.0953	2.1576	2.6608	2.4628	3.7446	3.1123		1.7778	1.7778
H8	1.0972	2.1567	3.2363	3.5395	4.1509	2.5819	1.7778		1.7670
H9	1.0972	2.1567	3.2363	3.5395	4.1509	2.5819	1.7778	1.7670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.563	C1	C2	H6	116.420
C2	C1	H7	111.040	C2	C1	H8	110.848
C2	C1	H9	110.848	C2	C3	H4	121.394
C2	C3	H5	121.488	C3	C2	H6	119.017
H4	C3	H5	117.118	H7	C1	H8	108.357
H7	C1	H9	108.357	H8	C1	H9	107.260

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)