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	hartrees
Energy at 0K	-117.564539
Energy at 298.15K
HF Energy	-117.085627
Nuclear repulsion energy	70.197351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3274	3274	17.49
2	A'	3195	3195	13.39
3	A'	3177	3177	13.08
4	A'	3148	3148	15.17
5	A'	3058	3058	22.69
6	A'	1729	1729	11.22
7	A'	1493	1493	11.96
8	A'	1458	1458	0.62
9	A'	1403	1403	1.11
10	A'	1328	1328	0.21
11	A'	1195	1195	0.20
12	A'	942	942	4.62
13	A'	941	941	0.14
14	A'	421	421	0.95
15	A"	3125	3125	18.74
16	A"	1475	1475	5.77
17	A"	1066	1066	4.89
18	A"	1014	1014	14.63
19	A"	945	945	39.63
20	A"	585	585	11.14
21	A"	202	202	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	-1.148	-0.498	0.000
C2	0.000	0.482	0.000
C3	1.301	0.136	0.000
H4	1.611	-0.913	0.000
H5	2.090	0.891	0.000
H6	-0.264	1.546	0.000
H7	-0.782	-1.536	0.000
H8	-1.787	-0.354	0.887
H9	-1.787	-0.354	-0.887

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5094	2.5298	2.7900	3.5235	2.2270	1.1008	1.1025	1.1025
C2	1.5094		1.3462	2.1309	2.1298	1.0961	2.1646	2.1631	2.1631
C3	2.5298	1.3462		1.0941	1.0920	2.1059	2.6718	3.2501	3.2501
H4	2.7900	2.1309	1.0941		1.8667	3.0919	2.4732	3.5559	3.5559
H5	3.5235	2.1298	1.0920	1.8667		2.4431	3.7609	4.1677	4.1677
H6	2.2270	1.0961	2.1059	3.0919	2.4431		3.1255	2.5919	2.5919
H7	1.1008	2.1646	2.6718	2.4732	3.7609	3.1255		1.7868	1.7868
H8	1.1025	2.1631	3.2501	3.5559	4.1677	2.5919	1.7868		1.7739
H9	1.1025	2.1631	3.2501	3.5559	4.1677	2.5919	1.7868	1.7739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.638	C1	C2	H6	116.567
C2	C1	H7	111.087	C2	C1	H8	110.865
C2	C1	H9	110.865	C2	C3	H4	121.331
C2	C3	H5	121.393	C3	C2	H6	118.795
H4	C3	H5	117.276	H7	C1	H8	108.383
H7	C1	H9	108.383	H8	C1	H9	107.120

All results from a given calculation for CH₂CHCH₃ (Propene)

using model chemistry: MP3=FULL/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: MP3=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHCH₃ (Propene)