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	hartrees
Energy at 0K	-117.324629
Energy at 298.15K	-117.330187
HF Energy	-117.036467
Nuclear repulsion energy	69.476844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3233	41.61
2	A'	3148	3148	19.90
3	A'	3127	3127	28.13
4	A'	3098	3098	24.28
5	A'	3003	3003	31.77
6	A'	1696	1696	7.67
7	A'	1534	1534	14.71
8	A'	1485	1485	2.51
9	A'	1459	1459	5.29
10	A'	1340	1340	0.01
11	A'	1213	1213	1.22
12	A'	964	964	4.09
13	A'	922	922	1.25
14	A'	420	420	0.54
15	A"	3077	3077	39.43
16	A"	1512	1512	9.69
17	A"	1096	1096	1.42
18	A"	1007	1007	28.83
19	A"	868	868	55.26
20	A"	575	575	14.11
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	1.318	0.142	0.000
H4	1.637	-0.907	0.000
H5	2.112	0.896	0.000
H6	-0.272	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		1.5329	2.5666	2.8295	3.5643	2.2467	1.1056	1.1072	1.1072
C2	1.5329		1.3632	2.1508	2.1504	1.0990	2.1854	2.1870	2.1870
C3	2.5666	1.3632		1.0958	1.0945	2.1263	2.7029	3.2868	3.2868
H4	2.8295	2.1508	1.0958		1.8643	3.1137	2.5108	3.5950	3.5950
H5	3.5643	2.1504	1.0945	1.8643		2.4722	3.7946	4.2096	4.2096
H6	2.2467	1.0990	2.1263	3.1137	2.4722		3.1453	2.6141	2.6141
H7	1.1056	2.1854	2.7029	2.5108	3.7946	3.1453		1.7943	1.7943
H8	1.1072	2.1870	3.2868	3.5950	4.2096	2.6141	1.7943		1.7864
H9	1.1072	2.1870	3.2868	3.5950	4.2096	2.6141	1.7943	1.7864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.696	C1	C2	H6	116.249
C2	C1	H7	110.799	C2	C1	H8	110.829
C2	C1	H9	110.829	C2	C3	H4	121.630
C2	C3	H5	121.701	C3	C2	H6	119.055
H4	C3	H5	116.670	H7	C1	H8	108.361
H7	C1	H9	108.361	H8	C1	H9	107.548

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP3/SDD

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/SDD

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)