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	hartrees
Energy at 0K	-116.810387
Energy at 298.15K	-116.814488
HF Energy	-116.427609
Nuclear repulsion energy	64.451891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3299	3122	1.27
2	A'	3179	3009	16.97
3	A'	3110	2944	13.18
4	A'	3078	2913	23.14
5	A'	1864	1764	3.23
6	A'	1544	1461	7.29
7	A'	1466	1387	2.13
8	A'	1333	1261	1.74
9	A'	1166	1103	7.38
10	A'	973	921	1.78
11	A'	859	813	16.50
12	A'	427	404	7.45
13	A"	3145	2977	21.32
14	A"	1537	1455	7.04
15	A"	1130	1070	2.31
16	A"	947	897	6.03
17	A"	676	640	55.47
18	A"	208	197	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.447	0.000
C2	1.293	0.352	0.000
C3	-0.964	-0.711	0.000
H4	-0.451	1.447	0.000
H5	2.129	1.041	0.000
H6	-0.427	-1.664	0.000
H7	-1.612	-0.675	0.884
H8	-1.612	-0.675	-0.884

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2968	1.5072	1.0975	2.2105	2.1540	2.1543	2.1543
C2	1.2968		2.4954	2.0598	1.0833	2.6503	3.2063	3.2063
C3	1.5072	2.4954		2.2190	3.5553	1.0940	1.0971	1.0971
H4	1.0975	2.0598	2.2190		2.6121	3.1119	2.5760	2.5760
H5	2.2105	1.0833	3.5553	2.6121		3.7219	4.2103	4.2103
H6	2.1540	2.6503	1.0940	3.1119	3.7219		1.7795	1.7795
H7	2.1543	3.2063	1.0971	2.5760	4.2103	1.7795		1.7688
H8	2.1543	3.2063	1.0971	2.5760	4.2103	1.7795	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.299	C1	C3	H6	110.805
C1	C3	H7	110.640	C1	C3	H8	110.640
C2	C1	C3	125.575	C2	C1	H4	118.470
C3	C1	H4	115.955	H6	C3	H7	108.610
H6	C3	H8	108.610	H7	C3	H8	107.437

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

using model chemistry: CCD/6-31G*

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: CCD/6-31G*

States and conformations

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