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	hartrees
Energy at 0K	-117.335493
Energy at 298.15K	-117.341021
HF Energy	-117.035050
Nuclear repulsion energy	69.271243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3011	42.35
2	A'	3109	2932	20.14
3	A'	3088	2913	31.65
4	A'	3062	2887	23.43
5	A'	2969	2800	34.11
6	A'	1668	1573	7.51
7	A'	1521	1435	13.67
8	A'	1470	1386	2.60
9	A'	1447	1364	4.50
10	A'	1324	1249	0.01
11	A'	1201	1133	1.17
12	A'	957	903	3.78
13	A'	911	859	1.14
14	A'	417	393	0.49
15	A"	3041	2868	41.99
16	A"	1502	1416	8.93
17	A"	1086	1025	0.97
18	A"	989	932	27.30
19	A"	869	820	51.45
20	A"	568	536	13.42
21	A"	184	173	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	-1.169	-0.507	0.000
C2	0.000	0.490	0.000
C3	1.323	0.140	0.000
H4	1.642	-0.912	0.000
H5	2.120	0.895	0.000
H6	-0.270	1.558	0.000
H7	-0.798	-1.551	0.000
H8	-1.810	-0.364	0.895
H9	-1.810	-0.364	-0.895

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5360	2.5751	2.8401	3.5750	2.2517	1.1082	1.1099	1.1099
C2	1.5360		1.3689	2.1586	2.1580	1.1020	2.1907	2.1920	2.1920
C3	2.5751	1.3689		1.0988	1.0975	2.1334	2.7124	3.2971	3.2971
H4	2.8401	2.1586	1.0988		1.8692	3.1235	2.5218	3.6074	3.6074
H5	3.5750	2.1580	1.0975	1.8692		2.4800	3.8070	4.2220	4.2220
H6	2.2517	1.1020	2.1334	3.1235	2.4800		3.1530	2.6202	2.6202
H7	1.1082	2.1907	2.7124	2.5218	3.8070	3.1530		1.7980	1.7980
H8	1.1099	2.1920	3.2971	3.6074	4.2220	2.6202	1.7980		1.7906
H9	1.1099	2.1920	3.2971	3.6074	4.2220	2.6202	1.7980	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.762	C1	C2	H6	116.233
C2	C1	H7	110.847	C2	C1	H8	110.854
C2	C1	H9	110.854	C2	C3	H4	121.651
C2	C3	H5	121.689	C3	C2	H6	119.005
H4	C3	H5	116.661	H7	C1	H8	108.313
H7	C1	H9	108.313	H8	C1	H9	107.543

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: CCSD/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)