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	hartrees
Energy at 0K	-117.341090
Energy at 298.15K	-117.346690
HF Energy	-117.025378
Nuclear repulsion energy	69.848706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3199	30.96
2	A'	3121	3121	5.98
3	A'	3108	3108	36.18
4	A'	3076	3076	16.44
5	A'	3000	3000	26.49
6	A'	1707	1707	4.32
7	A'	1552	1552	8.64
8	A'	1497	1497	0.89
9	A'	1473	1473	3.10
10	A'	1358	1358	0.25
11	A'	1221	1221	0.54
12	A'	984	984	2.77
13	A'	929	929	0.86
14	A'	432	432	0.53
15	A"	3059	3059	31.95
16	A"	1534	1534	6.48
17	A"	1112	1112	0.60
18	A"	1015	1015	16.27
19	A"	933	933	42.07
20	A"	586	586	10.18
21	A"	181	181	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	-1.156	-0.504	0.000
C2	0.000	0.484	0.000
C3	1.309	0.143	0.000
H4	1.634	-0.903	0.000
H5	2.104	0.893	0.000
H6	-0.278	1.546	0.000
H7	-0.785	-1.542	0.000
H8	-1.796	-0.367	0.890
H9	-1.796	-0.367	-0.890

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5209	2.5489	2.8185	3.5467	2.2295	1.1030	1.1043	1.1043
C2	1.5209		1.3531	2.1434	2.1432	1.0972	2.1736	2.1776	2.1776
C3	2.5489	1.3531		1.0949	1.0928	2.1187	2.6883	3.2700	3.2700
H4	2.8185	2.1434	1.0949		1.8564	3.1068	2.5022	3.5834	3.5834
H5	3.5467	2.1432	1.0928	1.8564		2.4700	3.7786	4.1937	4.1937
H6	2.2295	1.0972	2.1187	3.1068	2.4700		3.1295	2.5989	2.5989
H7	1.1030	2.1736	2.6883	2.5022	3.7786	3.1295		1.7871	1.7871
H8	1.1043	2.1776	3.2700	3.5834	4.1937	2.5989	1.7871		1.7798
H9	1.1043	2.1776	3.2700	3.5834	4.1937	2.5989	1.7871	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.862	C1	C2	H6	115.821
C2	C1	H7	110.860	C2	C1	H8	111.103
C2	C1	H9	111.103	C2	C3	H4	121.869
C2	C3	H5	122.021	C3	C2	H6	119.318
H4	C3	H5	116.110	H7	C1	H8	108.122
H7	C1	H9	108.122	H8	C1	H9	107.388

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD=FULL/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=FULL/6-31G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)