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	hartrees
Energy at 0K	-117.295358
Energy at 298.15K
HF Energy	-117.035884
Nuclear repulsion energy	69.440405

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'	3251	3131	37.31	45.17	0.60	0.75
2	A'	3158	3041	23.20	113.84	0.14	0.25
3	A'	3135	3020	32.12	40.50	0.21	0.35
4	A'	3120	3005	15.03	64.43	0.75	0.86
5	A'	3014	2903	31.01	145.73	0.01	0.03
6	A'	1664	1603	7.38	4.38	0.15	0.27
7	A'	1542	1485	15.23	11.88	0.70	0.83
8	A'	1485	1430	2.90	10.57	0.59	0.74
9	A'	1460	1406	5.05	3.64	0.72	0.84
10	A'	1340	1290	0.00	12.95	0.55	0.71
11	A'	1214	1169	1.41	5.75	0.73	0.84
12	A'	965	930	4.65	0.70	0.34	0.51
13	A'	920	886	1.45	8.56	0.24	0.38
14	A'	420	405	0.55	1.43	0.47	0.64
15	A"	3103	2988	37.03	64.58	0.75	0.86
16	A"	1521	1465	10.15	11.72	0.75	0.86
17	A"	1100	1060	1.40	2.70	0.75	0.86
18	A"	1017	979	30.67	0.26	0.75	0.86
19	A"	871	839	58.55	3.27	0.75	0.86
20	A"	578	557	14.59	8.16	0.75	0.86
21	A"	191	184	0.60	1.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.168	-0.502	0.000
C2	0.000	0.489	0.000
C3	1.322	0.135	0.000
H4	1.632	-0.915	0.000
H5	2.116	0.887	0.000
H6	-0.262	1.556	0.000
H7	-0.798	-1.543	0.000
H8	-1.806	-0.360	0.892
H9	-1.806	-0.360	-0.892

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5314	2.5693	2.8300	3.5650	2.2485	1.1045	1.1059	1.1059
C2	1.5314		1.3683	2.1531	2.1528	1.0990	2.1829	2.1855	2.1855
C3	2.5693	1.3683		1.0951	1.0939	2.1282	2.7032	3.2894	3.2894
H4	2.8300	2.1531	1.0951		1.8665	3.1141	2.5098	3.5947	3.5947
H5	3.5650	2.1528	1.0939	1.8665		2.4701	3.7940	4.2104	4.2104
H6	2.2485	1.0990	2.1282	3.1141	2.4701		3.1450	2.6171	2.6171
H7	1.1045	2.1829	2.7032	2.5098	3.7940	3.1450		1.7917	1.7917
H8	1.1059	2.1855	3.2894	3.5947	4.2104	2.6171	1.7917		1.7838
H9	1.1059	2.1855	3.2894	3.5947	4.2104	2.6171	1.7917	1.7838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.673	C1	C2	H6	116.520
C2	C1	H7	110.779	C2	C1	H8	110.902
C2	C1	H9	110.902	C2	C3	H4	121.472
C2	C3	H5	121.531	C3	C2	H6	118.807
H4	C3	H5	116.997	H7	C1	H8	108.311
H7	C1	H9	108.311	H8	C1	H9	107.518

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)