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	hartrees
Energy at 0K	-115.889634
Energy at 298.15K	-115.895022
HF Energy	-115.653403
Nuclear repulsion energy	69.252678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3506	3506	0.99
2	A'	3442	3442	2.49
3	A'	3408	3408	2.48
4	A'	3364	3364	2.79
5	A'	3271	3271	2.72
6	A'	1805	1805	0.44
7	A'	1684	1684	1.60
8	A'	1594	1594	0.41
9	A'	1559	1559	3.54
10	A'	1399	1399	1.81
11	A'	1274	1274	0.79
12	A'	1018	1018	1.66
13	A'	984	984	0.07
14	A'	429	429	0.22
15	A"	3419	3419	2.80
16	A"	1678	1678	1.48
17	A"	1155	1155	0.14
18	A"	1073	1073	3.34
19	A"	956	956	9.09
20	A"	591	591	2.57
21	A"	160	160	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-1.161	-0.526	0.000
C2	0.000	0.495	0.000
C3	1.314	0.157	0.000
H4	1.645	-0.898	0.000
H5	2.112	0.922	0.000
H6	-0.295	1.564	0.000
H7	-0.772	-1.566	0.000
H8	-1.804	-0.389	0.898
H9	-1.804	-0.389	-0.898

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5451	2.5665	2.8300	3.5782	2.2616	1.1110	1.1132	1.1132
C2	1.5451		1.3561	2.1551	2.1546	1.1093	2.2008	2.2004	2.2004
C3	2.5665	1.3561		1.1060	1.1056	2.1368	2.7056	3.2899	3.2899
H4	2.8300	2.1551	1.1060		1.8792	3.1343	2.5076	3.5997	3.5997
H5	3.5782	2.1546	1.1056	1.8792		2.4908	3.8091	4.2259	4.2259
H6	2.2616	1.1093	2.1368	3.1343	2.4908		3.1664	2.6266	2.6266
H7	1.1110	2.2008	2.7056	2.5076	3.8091	3.1664		1.8046	1.8046
H8	1.1132	2.2004	3.2899	3.5997	4.2259	2.6266	1.8046		1.7968
H9	1.1132	2.2004	3.2899	3.5997	4.2259	2.6266	1.8046	1.7968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.285	C1	C2	H6	115.892
C2	C1	H7	110.847	C2	C1	H8	110.687
C2	C1	H9	110.687	C2	C3	H4	121.831
C2	C3	H5	121.814	C3	C2	H6	119.823
H4	C3	H5	116.356	H7	C1	H8	108.451
H7	C1	H9	108.451	H8	C1	H9	107.613

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD=FULL/STO-3G

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=FULL/STO-3G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)