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	hartrees
Energy at 0K	-117.297642
Energy at 298.15K
HF Energy	-117.036341
Nuclear repulsion energy	69.454437

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'	3250	3137	36.92	45.33	0.60	0.75
2	A'	3157	3047	22.66	114.81	0.14	0.25
3	A'	3134	3026	31.97	39.46	0.22	0.36
4	A'	3119	3011	14.57	65.01	0.75	0.86
5	A'	3013	2908	30.65	146.01	0.01	0.02
6	A'	1664	1606	7.42	4.35	0.15	0.27
7	A'	1542	1488	15.29	11.82	0.70	0.83
8	A'	1485	1433	2.88	10.62	0.59	0.74
9	A'	1459	1409	5.06	3.64	0.72	0.84
10	A'	1339	1293	0.00	12.93	0.55	0.71
11	A'	1214	1172	1.41	5.74	0.73	0.84
12	A'	965	932	4.62	0.70	0.33	0.50
13	A'	920	888	1.45	8.64	0.24	0.38
14	A'	420	406	0.55	1.43	0.47	0.64
15	A"	3102	2994	36.13	64.62	0.75	0.86
16	A"	1521	1468	10.21	11.80	0.75	0.86
17	A"	1100	1062	1.43	2.70	0.75	0.86
18	A"	1017	982	30.75	0.26	0.75	0.86
19	A"	870	840	58.43	3.22	0.75	0.86
20	A"	578	558	14.48	7.94	0.75	0.86
21	A"	191	184	0.60	1.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.167	-0.502	0.000
C2	0.000	0.489	0.000
C3	1.321	0.135	0.000
H4	1.632	-0.915	0.000
H5	2.115	0.888	0.000
H6	-0.262	1.556	0.000
H7	-0.798	-1.543	0.000
H8	-1.805	-0.360	0.892
H9	-1.805	-0.360	-0.892

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5311	2.5687	2.8294	3.5643	2.2481	1.1044	1.1058	1.1058
C2	1.5311		1.3678	2.1526	2.1522	1.0990	2.1826	2.1850	2.1850
C3	2.5687	1.3678		1.0950	1.0938	2.1277	2.7028	3.2886	3.2886
H4	2.8294	2.1526	1.0950		1.8664	3.1136	2.5094	3.5941	3.5941
H5	3.5643	2.1522	1.0938	1.8664		2.4695	3.7936	4.2094	4.2094
H6	2.2481	1.0990	2.1277	3.1136	2.4695		3.1446	2.6165	2.6165
H7	1.1044	2.1826	2.7028	2.5094	3.7936	3.1446		1.7916	1.7916
H8	1.1058	2.1850	3.2886	3.5941	4.2094	2.6165	1.7916		1.7837
H9	1.1058	2.1850	3.2886	3.5941	4.2094	2.6165	1.7916	1.7837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.683	C1	C2	H6	116.511
C2	C1	H7	110.783	C2	C1	H8	110.894
C2	C1	H9	110.894	C2	C3	H4	121.468
C2	C3	H5	121.528	C3	C2	H6	118.806
H4	C3	H5	117.004	H7	C1	H8	108.314
H7	C1	H9	108.314	H8	C1	H9	107.524

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2/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: MP2/SDD

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)