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	hartrees
Energy at 0K	-116.737157
Energy at 298.15K	-116.742775
HF Energy	-116.421821
Nuclear repulsion energy	70.058255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3196	21.81
2	A'	3126	3126	7.60
3	A'	3114	3114	20.96
4	A'	3087	3087	11.11
5	A'	3020	3020	17.90
6	A'	1698	1698	3.07
7	A'	1577	1577	9.27
8	A'	1511	1511	0.29
9	A'	1477	1477	4.61
10	A'	1369	1369	0.21
11	A'	1221	1221	0.91
12	A'	999	999	3.29
13	A'	896	896	1.05
14	A'	439	439	0.57
15	A"	3071	3071	23.08
16	A"	1564	1564	6.32
17	A"	1119	1119	0.02
18	A"	1026	1026	15.42
19	A"	949	949	41.89
20	A"	587	587	12.16
21	A"	182	182	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-1.150	-0.515	0.000
C2	0.000	0.488	0.000
C3	1.301	0.153	0.000
H4	1.624	-0.890	0.000
H5	2.091	0.902	0.000
H6	-0.288	1.542	0.000
H7	-0.762	-1.544	0.000
H8	-1.784	-0.382	0.889
H9	-1.784	-0.382	-0.889

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5264	2.5400	2.7989	3.5376	2.2311	1.0994	1.1006	1.1006
C2	1.5264		1.3432	2.1296	2.1317	1.0928	2.1703	2.1753	2.1753
C3	2.5400	1.3432		1.0912	1.0895	2.1107	2.6705	3.2547	3.2547
H4	2.7989	2.1296	1.0912		1.8518	3.0934	2.4737	3.5587	3.5587
H5	3.5376	2.1317	1.0895	1.8518		2.4637	3.7581	4.1784	4.1784
H6	2.2311	1.0928	2.1107	3.0934	2.4637		3.1226	2.5949	2.5949
H7	1.0994	2.1703	2.6705	2.4737	3.7581	3.1226		1.7852	1.7852
H8	1.1006	2.1753	3.2547	3.5587	4.1784	2.5949	1.7852		1.7788
H9	1.1006	2.1753	3.2547	3.5587	4.1784	2.5949	1.7852	1.7788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.417	C1	C2	H6	115.837
C2	C1	H7	110.434	C2	C1	H8	110.762
C2	C1	H9	110.762	C2	C3	H4	121.703
C2	C3	H5	122.054	C3	C2	H6	119.746
H4	C3	H5	116.244	H7	C1	H8	108.484
H7	C1	H9	108.484	H8	C1	H9	107.825

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)