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	hartrees
Energy at 0K	-20.334656
Energy at 298.15K	-20.340184
HF Energy	-19.921711
Nuclear repulsion energy	39.710631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3230	3230
2	A'	3153	3153
3	A'	3134	3134
4	A'	3125	3125
5	A'	3034	3034
6	A'	1694	1694
7	A'	1501	1501
8	A'	1457	1457
9	A'	1416	1416
10	A'	1308	1308
11	A'	1192	1192
12	A'	940	940
13	A'	921	921
14	A'	413	413
15	A"	3103	3103
16	A"	1485	1485
17	A"	1068	1068
18	A"	993	993
19	A"	843	843
20	A"	573	573
21	A"	197	197

Atom	x (Å)	y (Å)	z (Å)
C1	-1.169	-0.488	0.000
C2	0.000	0.495	0.000
C3	1.323	0.113	0.000
H4	1.617	-0.947	0.000
H5	2.128	0.865	0.000
H6	-0.245	1.569	0.000
H7	-0.806	-1.535	0.000
H8	-1.809	-0.337	0.895
H9	-1.809	-0.337	-0.895

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5269	2.5635	2.8236	3.5638	2.2550	1.1081	1.1108	1.1108
C2	1.5269		1.3770	2.1663	2.1601	1.1024	2.1834	2.1830	2.1830
C3	2.5635	1.3770		1.1002	1.1015	2.1401	2.6923	3.2888	3.2888
H4	2.8236	2.1663	1.1002		1.8828	3.1304	2.4932	3.5936	3.5936
H5	3.5638	2.1601	1.1015	1.8828		2.4755	3.7904	4.2129	4.2129
H6	2.2550	1.1024	2.1401	3.1304	2.4755		3.1542	2.6230	2.6230
H7	1.1081	2.1834	2.6923	2.4932	3.7904	3.1542		1.8010	1.8010
H8	1.1108	2.1830	3.2888	3.5936	4.2129	2.6230	1.8010		1.7899
H9	1.1108	2.1830	3.2888	3.5936	4.2129	2.6230	1.8010	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.882	C1	C2	H6	117.191
C2	C1	H7	110.916	C2	C1	H8	110.721
C2	C1	H9	110.721	C2	C3	H4	121.572
C2	C3	H5	120.875	C3	C2	H6	118.927
H4	C3	H5	117.552	H7	C1	H8	108.513
H7	C1	H9	108.513	H8	C1	H9	107.343

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP4=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: MP4=FULL/CEP-31G*

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)