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	hartrees
Energy at 0K	-117.672913
Energy at 298.15K
HF Energy	-117.116627
Nuclear repulsion energy	71.176443

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'	3280	3114	12.26	56.54	0.57	0.73
2	A'	3209	3047	4.73	160.57	0.15	0.26
3	A'	3195	3033	16.06	19.84	0.35	0.52
4	A'	3167	3007	8.43	73.33	0.74	0.85
5	A'	3085	2928	17.87	167.91	0.02	0.03
6	A'	1720	1633	9.37	8.18	0.05	0.09
7	A'	1520	1443	14.24	6.88	0.62	0.77
8	A'	1471	1396	1.08	13.62	0.59	0.74
9	A'	1417	1346	2.30	2.06	0.74	0.85
10	A'	1336	1269	0.11	13.07	0.36	0.53
11	A'	1205	1144	0.16	1.19	0.62	0.76
12	A'	953	905	5.57	1.59	0.16	0.28
13	A'	950	902	0.30	3.97	0.11	0.20
14	A'	425	404	0.88	1.37	0.43	0.60
15	A"	3147	2988	13.14	75.23	0.75	0.86
16	A"	1506	1430	6.78	6.50	0.75	0.86
17	A"	1084	1030	3.80	0.54	0.75	0.86
18	A"	1046	993	13.31	0.31	0.75	0.86
19	A"	958	910	40.08	0.94	0.75	0.86
20	A"	603	573	11.10	4.45	0.75	0.86
21	A"	213	202	0.45	1.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.132	-0.490	0.000
C2	0.000	0.477	0.000
C3	1.284	0.133	0.000
H4	1.580	-0.903	0.000
H5	2.063	0.876	0.000
H6	-0.256	1.525	0.000
H7	-0.769	-1.513	0.000
H8	-1.764	-0.351	0.874
H9	-1.764	-0.351	-0.874

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4892	2.4955	2.7435	3.4750	2.1975	1.0851	1.0870	1.0870
C2	1.4892		1.3291	2.0977	2.1011	1.0790	2.1330	2.1353	2.1353
C3	2.4955	1.3291		1.0778	1.0761	2.0758	2.6313	3.2072	3.2072
H4	2.7435	2.0977	1.0778		1.8431	3.0442	2.4268	3.4998	3.4998
H5	3.4750	2.1011	1.0761	1.8431		2.4084	3.7046	4.1123	4.1123
H6	2.1975	1.0790	2.0758	3.0442	2.4084		3.0807	2.5602	2.5602
H7	1.0851	2.1330	2.6313	2.4268	3.7046	3.0807		1.7614	1.7614
H8	1.0870	2.1353	3.2072	3.4998	4.1123	2.5602	1.7614		1.7476
H9	1.0870	2.1353	3.2072	3.4998	4.1123	2.5602	1.7614	1.7476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.518	C1	C2	H6	116.761
C2	C1	H7	110.936	C2	C1	H8	111.001
C2	C1	H9	111.001	C2	C3	H4	120.923
C2	C3	H5	121.399	C3	C2	H6	118.721
H4	C3	H5	117.678	H7	C1	H8	108.378
H7	C1	H9	108.378	H8	C1	H9	107.007

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP2=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)