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	hartrees
Energy at 0K	-116.871098
Energy at 298.15K	-116.875187
HF Energy	-116.442768
Nuclear repulsion energy	64.027796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3154	0.12
2	A'	3152	3040	17.32
3	A'	3105	2994	8.83
4	A'	3049	2941	24.15
5	A'	1848	1782	9.19
6	A'	1482	1429	8.56
7	A'	1406	1356	2.21
8	A'	1293	1247	1.66
9	A'	1138	1098	3.24
10	A'	948	914	3.05
11	A'	839	809	13.61
12	A'	419	404	7.92
13	A"	3118	3008	16.71
14	A"	1478	1425	6.05
15	A"	1094	1055	5.90
16	A"	921	889	6.73
17	A"	661	637	59.16
18	A"	213	206	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.446	0.000
C2	1.304	0.354	0.000
C3	-0.973	-0.715	0.000
H4	-0.441	1.458	0.000
H5	2.144	1.051	0.000
H6	-0.438	-1.676	0.000
H7	-1.624	-0.670	0.890
H8	-1.624	-0.670	-0.890

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3072	1.5146	1.1041	2.2279	2.1669	2.1625	2.1625
C2	1.3072		2.5155	2.0653	1.0916	2.6748	3.2274	3.2274
C3	1.5146	2.5155		2.2367	3.5826	1.1008	1.1038	1.1038
H4	1.1041	2.0653	2.2367		2.6176	3.1342	2.5923	2.5923
H5	2.2279	1.0916	3.5826	2.6176		3.7553	4.2374	4.2374
H6	2.1669	2.6748	1.1008	3.1342	3.7553		1.7926	1.7926
H7	2.1625	3.2274	1.1038	2.5923	4.2374	1.7926		1.7805
H8	2.1625	3.2274	1.1038	2.5923	4.2374	1.7926	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.290	C1	C3	H6	110.895
C1	C3	H7	110.372	C1	C3	H8	110.372
C2	C1	C3	125.948	C2	C1	H4	117.609
C3	C1	H4	116.443	H6	C3	H7	108.799
H6	C3	H8	108.799	H7	C3	H8	107.516

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

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

States and conformations

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