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	hartrees
Energy at 0K	-117.345591
Energy at 298.15K	-117.351171
HF Energy	-117.024709
Nuclear repulsion energy	69.708922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3182	3001
2	A'	3103	2926
3	A'	3090	2914
4	A'	3062	2888
5	A'	2983	2814
6	A'	1682	1586
7	A'	1546	1458
8	A'	1487	1403
9	A'	1464	1381
10	A'	1348	1271
11	A'	1213	1144
12	A'	977	922
13	A'	920	868
14	A'	428	404
15	A"	3044	2871
16	A"	1528	1441
17	A"	1103	1040
18	A"	1001	944
19	A"	911	859
20	A"	579	546
21	A"	183	173

Atom	x (Å)	y (Å)	z (Å)
C1	-1.160	-0.502	0.000
C2	0.000	0.486	0.000
C3	1.313	0.140	0.000
H4	1.634	-0.909	0.000
H5	2.110	0.889	0.000
H6	-0.275	1.550	0.000
H7	-0.788	-1.542	0.000
H8	-1.800	-0.364	0.891
H9	-1.800	-0.364	-0.891

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5233	2.5545	2.8229	3.5534	2.2342	1.1044	1.1056	1.1056
C2	1.5233		1.3578	2.1481	2.1482	1.0989	2.1754	2.1805	2.1805
C3	2.5545	1.3578		1.0965	1.0944	2.1237	2.6910	3.2766	3.2766
H4	2.8229	2.1481	1.0965		1.8605	3.1126	2.5031	3.5888	3.5888
H5	3.5534	2.1482	1.0944	1.8605		2.4747	3.7829	4.2013	4.2013
H6	2.2342	1.0989	2.1237	3.1126	2.4747		3.1338	2.6038	2.6038
H7	1.1044	2.1754	2.6910	2.5031	3.7829	3.1338		1.7902	1.7902
H8	1.1056	2.1805	3.2766	3.5888	4.2013	2.6038	1.7902		1.7818
H9	1.1056	2.1805	3.2766	3.5888	4.2013	2.6038	1.7902	1.7818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.808	C1	C2	H6	115.922
C2	C1	H7	110.754	C2	C1	H8	111.086
C2	C1	H9	111.086	C2	C3	H4	121.783
C2	C3	H5	121.974	C3	C2	H6	119.269
H4	C3	H5	116.244	H7	C1	H8	108.204
H7	C1	H9	108.204	H8	C1	H9	107.369

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD(T)/6-31G

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(T)/6-31G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)