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	hartrees
Energy at 0K	-117.520257
Energy at 298.15K
HF Energy	-117.085351
Nuclear repulsion energy	70.176877

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'	3277	3143	14.13	58.00	0.61	0.76
2	A'	3188	3057	13.61	132.75	0.13	0.23
3	A'	3172	3042	13.30	63.90	0.11	0.20
4	A'	3155	3026	9.62	74.15	0.74	0.85
5	A'	3054	2929	21.41	196.98	0.01	0.03
6	A'	1694	1624	10.64	20.19	0.02	0.03
7	A'	1485	1424	13.04	3.66	0.56	0.71
8	A'	1446	1387	0.78	15.37	0.47	0.64
9	A'	1388	1331	1.42	1.48	0.71	0.83
10	A'	1316	1262	0.14	16.09	0.26	0.41
11	A'	1187	1139	0.17	1.22	0.35	0.51
12	A'	940	902	2.89	7.71	0.05	0.10
13	A'	934	896	2.32	0.33	0.45	0.62
14	A'	419	402	0.89	1.78	0.35	0.52
15	A"	3133	3005	15.06	73.85	0.75	0.86
16	A"	1467	1407	6.19	4.02	0.75	0.86
17	A"	1055	1012	4.38	0.33	0.75	0.86
18	A"	1010	969	16.63	0.48	0.75	0.86
19	A"	932	894	38.62	2.34	0.75	0.86
20	A"	581	558	11.77	1.07	0.75	0.86
21	A"	205	197	0.47	0.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.150	-0.490	0.000
C2	0.000	0.482	0.000
C3	1.303	0.127	0.000
H4	1.603	-0.925	0.000
H5	2.096	0.879	0.000
H6	-0.254	1.550	0.000
H7	-0.788	-1.530	0.000
H8	-1.788	-0.344	0.887
H9	-1.788	-0.344	-0.887

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5058	2.5291	2.7867	3.5227	2.2279	1.1011	1.1028	1.1028
C2	1.5058		1.3504	2.1333	2.1334	1.0974	2.1615	2.1604	2.1604
C3	2.5291	1.3504		1.0947	1.0928	2.1091	2.6684	3.2504	3.2504
H4	2.7867	2.1333	1.0947		1.8706	3.0946	2.4664	3.5533	3.5533
H5	3.5227	2.1334	1.0928	1.8706		2.4443	3.7582	4.1679	4.1679
H6	2.2279	1.0974	2.1091	3.0946	2.4443		3.1261	2.5934	2.5934
H7	1.1011	2.1615	2.6684	2.4664	3.7582	3.1261		1.7876	1.7876
H8	1.1028	2.1604	3.2504	3.5533	4.1679	2.5934	1.7876		1.7738
H9	1.1028	2.1604	3.2504	3.5533	4.1679	2.5934	1.7876	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.532	C1	C2	H6	116.833
C2	C1	H7	111.067	C2	C1	H8	110.878
C2	C1	H9	110.878	C2	C3	H4	121.143
C2	C3	H5	121.309	C3	C2	H6	118.636
H4	C3	H5	117.548	H7	C1	H8	108.404
H7	C1	H9	108.404	H8	C1	H9	107.071

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)