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	hartrees
Energy at 0K	-20.367253
Energy at 298.15K	-20.372792
HF Energy	-19.936793
Nuclear repulsion energy	40.144684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	3041	26.82
2	A'	3144	2965	18.56
3	A'	3129	2951	27.08
4	A'	3112	2935	12.87
5	A'	3022	2850	30.17
6	A'	1699	1602	8.68
7	A'	1524	1437	11.66
8	A'	1471	1387	2.29
9	A'	1435	1353	0.78
10	A'	1320	1245	0.16
11	A'	1201	1132	0.28
12	A'	948	894	2.54
13	A'	930	877	0.99
14	A'	423	398	0.67
15	A"	3090	2914	30.49
16	A"	1505	1420	7.37
17	A"	1076	1015	4.98
18	A"	997	940	22.86
19	A"	859	810	48.44
20	A"	568	536	10.53
21	A"	182	171	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-1.152	-0.503	0.000
C2	0.000	0.486	0.000
C3	1.304	0.139	0.000
H4	1.616	-0.907	0.000
H5	2.093	0.890	0.000
H6	-0.267	1.547	0.000
H7	-0.782	-1.536	0.000
H8	-1.788	-0.361	0.886
H9	-1.788	-0.361	-0.886

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5177	2.5381	2.7976	3.5311	2.2323	1.0977	1.0997	1.0997
C2	1.5177		1.3494	2.1339	2.1318	1.0939	2.1678	2.1674	2.1674
C3	2.5381	1.3494		1.0914	1.0895	2.1094	2.6748	3.2546	3.2546
H4	2.7976	2.1339	1.0914		1.8590	3.0931	2.4793	3.5596	3.5596
H5	3.5311	2.1318	1.0895	1.8590		2.4496	3.7616	4.1725	4.1725
H6	2.2323	1.0939	2.1094	3.0931	2.4496		3.1255	2.5957	2.5957
H7	1.0977	2.1678	2.6748	2.4793	3.7616	3.1255		1.7825	1.7825
H8	1.0997	2.1674	3.2546	3.5596	4.1725	2.5957	1.7825		1.7720
H9	1.0997	2.1674	3.2546	3.5596	4.1725	2.5957	1.7825	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.451	C1	C2	H6	116.530
C2	C1	H7	110.940	C2	C1	H8	110.788
C2	C1	H9	110.788	C2	C3	H4	121.548
C2	C3	H5	121.505	C3	C2	H6	119.019
H4	C3	H5	116.947	H7	C1	H8	108.430
H7	C1	H9	108.430	H8	C1	H9	107.347

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD/CEP-121G*

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-121G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)