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	hartrees
Energy at 0K	-20.283905
Energy at 298.15K
HF Energy	-19.922692
Nuclear repulsion energy	39.875333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3286	3120	27.14	51.59	0.57	0.73
2	A'	3204	3042	18.00	104.28	0.20	0.34
3	A'	3187	3025	37.00	77.16	0.58	0.73
4	A'	3180	3019	0.62	36.70	0.58	0.74
5	A'	3080	2924	29.16	149.24	0.02	0.03
6	A'	1717	1630	6.51	6.16	0.05	0.10
7	A'	1521	1444	14.12	12.15	0.68	0.81
8	A'	1473	1399	2.10	11.29	0.72	0.84
9	A'	1432	1360	1.06	6.63	0.57	0.73
10	A'	1325	1258	0.16	11.00	0.36	0.53
11	A'	1207	1145	0.51	5.37	0.61	0.76
12	A'	952	904	5.97	5.13	0.28	0.43
13	A'	934	887	0.56	1.82	0.32	0.49
14	A'	420	399	0.73	2.54	0.59	0.74
15	A"	3162	3002	30.69	71.41	0.75	0.86
16	A"	1505	1429	10.43	15.67	0.75	0.86
17	A"	1083	1028	4.63	4.25	0.75	0.86
18	A"	1020	969	34.44	0.47	0.75	0.86
19	A"	870	826	59.09	5.27	0.75	0.86
20	A"	586	556	16.52	4.02	0.75	0.86
21	A"	201	191	0.51	1.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.164	-0.485	0.000
C2	0.000	0.493	0.000
C3	1.318	0.112	0.000
H4	1.608	-0.945	0.000
H5	2.120	0.859	0.000
H6	-0.243	1.564	0.000
H7	-0.805	-1.528	0.000
H8	-1.802	-0.335	0.891
H9	-1.802	-0.335	-0.891

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5201	2.5520	2.8099	3.5487	2.2466	1.1034	1.1062	1.1062
C2	1.5201		1.3715	2.1572	2.1519	1.0983	2.1756	2.1739	2.1739
C3	2.5520	1.3715		1.0958	1.0971	2.1314	2.6822	3.2748	3.2748
H4	2.8099	2.1572	1.0958		1.8755	3.1177	2.4826	3.5771	3.5771
H5	3.5487	2.1519	1.0971	1.8755		2.4658	3.7761	4.1959	4.1959
H6	2.2466	1.0983	2.1314	3.1177	2.4658		3.1431	2.6137	2.6137
H7	1.1034	2.1756	2.6822	2.4826	3.7761	3.1431		1.7924	1.7924
H8	1.1062	2.1739	3.2748	3.5771	4.1959	2.6137	1.7924		1.7819
H9	1.1062	2.1739	3.2748	3.5771	4.1959	2.6137	1.7924	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.826	C1	C2	H6	117.282
C2	C1	H7	111.055	C2	C1	H8	110.754
C2	C1	H9	110.754	C2	C3	H4	121.520
C2	C3	H5	120.907	C3	C2	H6	118.893
H4	C3	H5	117.572	H7	C1	H8	108.425
H7	C1	H9	108.425	H8	C1	H9	107.303

All results from a given calculation for CH₂CHCH₃ (Propene)

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

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)