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	hartrees
Energy at 0K	-116.853156
Energy at 298.15K	-116.857249
HF Energy	-116.438866
Nuclear repulsion energy	64.044797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	3139	0.44
2	A'	3178	3041	15.64
3	A'	3114	2979	10.79
4	A'	3070	2937	26.11
5	A'	1847	1767	5.32
6	A'	1489	1424	7.50
7	A'	1418	1356	2.11
8	A'	1291	1235	2.04
9	A'	1144	1094	4.88
10	A'	954	913	3.39
11	A'	845	808	14.64
12	A'	417	398	7.32
13	A"	3145	3009	19.40
14	A"	1486	1421	6.09
15	A"	1097	1050	3.19
16	A"	933	893	6.55
17	A"	663	634	52.28
18	A"	216	206	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.447	0.000
C2	1.303	0.350	0.000
C3	-0.972	-0.712	0.000
H4	-0.444	1.460	0.000
H5	2.144	1.048	0.000
H6	-0.436	-1.676	0.000
H7	-1.625	-0.670	0.891
H8	-1.625	-0.670	-0.891

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3064	1.5131	1.1059	2.2268	2.1671	2.1639	2.1639
C2	1.3064		2.5104	2.0698	1.0935	2.6693	3.2256	3.2256
C3	1.5131	2.5104		2.2357	3.5790	1.1021	1.1052	1.1052
H4	1.1059	2.0698	2.2357		2.6209	3.1356	2.5935	2.5935
H5	2.2268	1.0935	3.5790	2.6209		3.7518	4.2370	4.2370
H6	2.1671	2.6693	1.1021	3.1356	3.7518		1.7936	1.7936
H7	2.1639	3.2256	1.1052	2.5935	4.2370	1.7936		1.7812
H8	2.1639	3.2256	1.1052	2.5935	4.2370	1.7936	1.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.035	C1	C3	H6	110.952
C1	C3	H7	110.506	C1	C3	H8	110.506
C2	C1	C3	125.679	C2	C1	H4	117.958
C3	C1	H4	116.363	H6	C3	H7	108.697
H6	C3	H8	108.697	H7	C3	H8	107.383

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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