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	hartrees
Energy at 0K	-116.897040
Energy at 298.15K	-116.900950
HF Energy	-116.442939
Nuclear repulsion energy	63.495004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3227	3106
2	A'	3121	3004
3	A'	3052	2937
4	A'	3018	2905
5	A'	1663	1601
6	A'	1463	1408
7	A'	1388	1336
8	A'	1257	1210
9	A'	1114	1072
10	A'	926	892
11	A'	814	784
12	A'	401	386
13	A"	3086	2970
14	A"	1460	1405
15	A"	1043	1004
16	A"	775	746
17	A"	607	584
18	A"	173	166

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.452	0.000
C2	1.329	0.322	0.000
C3	-0.995	-0.695	0.000
H4	-0.422	1.476	0.000
H5	2.185	1.004	0.000
H6	-0.473	-1.667	0.000
H7	-1.647	-0.643	0.892
H8	-1.647	-0.643	-0.892

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3354	1.5189	1.1072	2.2541	2.1713	2.1694	2.1694
C2	1.3354		2.5373	2.0968	1.0945	2.6843	3.2531	3.2531
C3	1.5189	2.5373		2.2455	3.6061	1.1030	1.1061	1.1061
H4	1.1072	2.0968	2.2455		2.6498	3.1431	2.6045	2.6045
H5	2.2541	1.0945	3.6061	2.6498		3.7686	4.2653	4.2653
H6	2.1713	2.6843	1.1030	3.1431	3.7686		1.7952	1.7952
H7	2.1694	3.2531	1.1061	2.6045	4.2653	1.7952		1.7844
H8	2.1694	3.2531	1.1061	2.6045	4.2653	1.7952	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.905	C1	C3	H6	110.819
C1	C3	H7	110.481	C1	C3	H8	110.481
C2	C1	C3	125.357	C2	C1	H4	117.982
C3	C1	H4	116.661	H6	C3	H7	108.715
H6	C3	H8	108.715	H7	C3	H8	107.540

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

using model chemistry: CCSD(T)/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 CH3CHCH (1-propenyl radical)

using model chemistry: CCSD(T)/aug-cc-pVDZ

States and conformations

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