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	hartrees
Energy at 0K	-116.851539
Energy at 298.15K	-116.855656
HF Energy	-116.436623
Nuclear repulsion energy	64.593436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3341	3133	1.09
2	A'	3225	3023	19.74
3	A'	3160	2963	13.33
4	A'	3117	2923	25.37
5	A'	1866	1750	3.71
6	A'	1553	1456	5.50
7	A'	1471	1379	1.81
8	A'	1336	1252	1.50
9	A'	1171	1098	6.05
10	A'	973	912	1.41
11	A'	868	813	14.86
12	A'	426	399	6.68
13	A"	3190	2991	24.33
14	A"	1546	1450	5.09
15	A"	1131	1060	2.91
16	A"	954	894	6.35
17	A"	676	634	48.57
18	A"	210	197	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.447	0.000
C2	1.293	0.349	0.000
C3	-0.964	-0.710	0.000
H4	-0.445	1.443	0.000
H5	2.121	1.039	0.000
H6	-0.431	-1.658	0.000
H7	-1.609	-0.672	0.880
H8	-1.609	-0.672	-0.880

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2968	1.5058	1.0910	2.2023	2.1482	2.1480	2.1480
C2	1.2968		2.4936	2.0535	1.0776	2.6460	3.1997	3.1997
C3	1.5058	2.4936		2.2143	3.5467	1.0878	1.0909	1.0909
H4	1.0910	2.0535	2.2143		2.5977	3.1006	2.5695	2.5695
H5	2.2023	1.0776	3.5467	2.5977		3.7130	4.1969	4.1969
H6	2.1482	2.6460	1.0878	3.1006	3.7130		1.7696	1.7696
H7	2.1480	3.1997	1.0909	2.5695	4.1969	1.7696		1.7593
H8	2.1480	3.1997	1.0909	2.5695	4.1969	1.7696	1.7593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.903	C1	C3	H6	110.809
C1	C3	H7	110.611	C1	C3	H8	110.611
C2	C1	C3	125.524	C2	C1	H4	118.376
C3	C1	H4	116.101	H6	C3	H7	108.619
H6	C3	H8	108.619	H7	C3	H8	107.474

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)