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	hartrees
Energy at 0K	-116.873806
Energy at 298.15K	-116.877934
HF Energy	-116.442245
Nuclear repulsion energy	64.817023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3347	3161	1.71
2	A'	3226	3047	7.71
3	A'	3142	2968	7.39
4	A'	3109	2937	15.79
5	A'	1959	1850	4.24
6	A'	1519	1435	7.75
7	A'	1427	1347	2.03
8	A'	1298	1226	1.71
9	A'	1143	1080	7.20
10	A'	960	907	4.50
11	A'	832	786	16.42
12	A'	412	390	8.61
13	A"	3189	3012	10.32
14	A"	1517	1433	6.55
15	A"	1118	1056	1.69
16	A"	977	923	9.02
17	A"	687	649	51.15
18	A"	230	217	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.443	0.000
C2	1.281	0.364	0.000
C3	-0.955	-0.716	0.000
H4	-0.454	1.437	0.000
H5	2.120	1.040	0.000
H6	-0.419	-1.663	0.000
H7	-1.602	-0.680	0.879
H8	-1.602	-0.680	-0.879

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2838	1.5024	1.0928	2.2020	2.1478	2.1446	2.1446
C2	1.2838		2.4839	2.0407	1.0766	2.6459	3.1898	3.1898
C3	1.5024	2.4839		2.2108	3.5410	1.0885	1.0918	1.0918
H4	1.0928	2.0407	2.2108		2.6046	3.1006	2.5630	2.5630
H5	2.2020	1.0766	3.5410	2.6046		3.7080	4.1926	4.1926
H6	2.1478	2.6459	1.0885	3.1006	3.7080		1.7722	1.7722
H7	2.1446	3.1898	1.0918	2.5630	4.1926	1.7722		1.7579
H8	2.1446	3.1898	1.0918	2.5630	4.1926	1.7722	1.7579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	137.599	C1	C3	H6	110.981
C1	C3	H7	110.519	C1	C3	H8	110.519
C2	C1	C3	125.947	C2	C1	H4	118.106
C3	C1	H4	115.946	H6	C3	H7	108.748
H6	C3	H8	108.748	H7	C3	H8	107.221

All results from a given calculation for CH₃CHCH (1-propenyl radical)

using model chemistry: MP2/6-31G(2df,p)

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 CH3CHCH (1-propenyl radical)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CHCH (1-propenyl radical)