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	hartrees
Energy at 0K	-20.283906
Energy at 298.15K	-20.289477
HF Energy	-19.922698
Nuclear repulsion energy	39.874062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3286	3098	27.09
2	A'	3205	3021	18.68
3	A'	3187	3005	35.55
4	A'	3180	2998	1.36
5	A'	3081	2904	29.13
6	A'	1717	1618	6.49
7	A'	1521	1434	14.10
8	A'	1473	1388	2.11
9	A'	1432	1350	1.09
10	A'	1325	1249	0.17
11	A'	1206	1137	0.51
12	A'	951	896	6.04
13	A'	934	881	0.49
14	A'	420	396	0.73
15	A"	3164	2982	30.66
16	A"	1504	1418	10.40
17	A"	1083	1021	4.64
18	A"	1020	962	34.30
19	A"	870	820	59.35
20	A"	586	552	16.47
21	A"	200	189	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	-1.164	-0.485	0.000
C2	0.000	0.493	0.000
C3	1.317	0.112	0.000
H4	1.608	-0.945	0.000
H5	2.120	0.860	0.000
H6	-0.242	1.565	0.000
H7	-0.803	-1.528	0.000
H8	-1.802	-0.336	0.891
H9	-1.802	-0.336	-0.891

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5208	2.5521	2.8093	3.5488	2.2478	1.1033	1.1061	1.1061
C2	1.5208		1.3714	2.1570	2.1514	1.0982	2.1749	2.1747	2.1747
C3	2.5521	1.3714		1.0957	1.0972	2.1312	2.6802	3.2749	3.2749
H4	2.8093	2.1570	1.0957		1.8760	3.1173	2.4799	3.5763	3.5763
H5	3.5488	2.1514	1.0972	1.8760		2.4649	3.7741	4.1960	4.1960
H6	2.2478	1.0982	2.1312	3.1173	2.4649		3.1430	2.6154	2.6154
H7	1.1033	2.1749	2.6802	2.4799	3.7741	3.1430		1.7925	1.7925
H8	1.1061	2.1747	3.2749	3.5763	4.1960	2.6154	1.7925		1.7819
H9	1.1061	2.1747	3.2749	3.5763	4.1960	2.6154	1.7925	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.782	C1	C2	H6	117.332
C2	C1	H7	110.954	C2	C1	H8	110.773
C2	C1	H9	110.773	C2	C3	H4	121.516
C2	C3	H5	120.863	C3	C2	H6	118.886
H4	C3	H5	117.621	H7	C1	H8	108.448
H7	C1	H9	108.448	H8	C1	H9	107.324

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2=FULL/CEP-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: MP2=FULL/CEP-31G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)