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	hartrees
Energy at 0K	-117.322554
Energy at 298.15K	-117.328111
HF Energy	-117.035989
Nuclear repulsion energy	69.458598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3233	42.09
2	A'	3149	3149	20.43
3	A'	3127	3127	28.36
4	A'	3098	3098	24.77
5	A'	3003	3003	32.12
6	A'	1696	1696	7.61
7	A'	1533	1533	14.62
8	A'	1485	1485	2.53
9	A'	1459	1459	5.28
10	A'	1339	1339	0.01
11	A'	1212	1212	1.22
12	A'	964	964	4.10
13	A'	921	921	1.24
14	A'	420	420	0.54
15	A"	3078	3078	40.39
16	A"	1512	1512	9.62
17	A"	1096	1096	1.38
18	A"	1007	1007	28.75
19	A"	869	869	55.30
20	A"	575	575	14.20
21	A"	190	190	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	-1.165	-0.508	0.000
C2	0.000	0.489	0.000
C3	1.319	0.142	0.000
H4	1.637	-0.907	0.000
H5	2.112	0.895	0.000
H6	-0.271	1.554	0.000
H7	-0.791	-1.548	0.000
H8	-1.804	-0.367	0.893
H9	-1.804	-0.367	-0.893

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5333	2.5673	2.8302	3.5652	2.2473	1.1058	1.1074	1.1074
C2	1.5333		1.3638	2.1515	2.1511	1.0991	2.1858	2.1875	2.1875
C3	2.5673	1.3638		1.0960	1.0947	2.1269	2.7034	3.2877	3.2877
H4	2.8302	2.1515	1.0960		1.8645	3.1144	2.5113	3.5959	3.5959
H5	3.5652	2.1511	1.0947	1.8645		2.4730	3.7953	4.2108	4.2108
H6	2.2473	1.0991	2.1269	3.1144	2.4730		3.1459	2.6149	2.6149
H7	1.1058	2.1858	2.7034	2.5113	3.7953	3.1459		1.7945	1.7945
H8	1.1074	2.1875	3.2877	3.5959	4.2108	2.6149	1.7945		1.7866
H9	1.1074	2.1875	3.2877	3.5959	4.2108	2.6149	1.7945	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.684	C1	C2	H6	116.261
C2	C1	H7	110.794	C2	C1	H8	110.836
C2	C1	H9	110.836	C2	C3	H4	121.630
C2	C3	H5	121.703	C3	C2	H6	119.055
H4	C3	H5	116.666	H7	C1	H8	108.359
H7	C1	H9	108.359	H8	C1	H9	107.543

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP3/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: MP3/LANL2DZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)