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	hartrees
Energy at 0K	-116.670092
Energy at 298.15K	-116.674080
HF Energy	-116.387067
Nuclear repulsion energy	63.390863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3106	5.30
2	A'	3094	2981	27.80
3	A'	3031	2921	15.92
4	A'	3005	2896	29.46
5	A'	1654	1594	0.37
6	A'	1544	1488	6.01
7	A'	1470	1416	2.32
8	A'	1331	1282	1.16
9	A'	1146	1105	7.63
10	A'	958	923	0.04
11	A'	841	810	12.25
12	A'	428	413	5.48
13	A"	3067	2955	31.08
14	A"	1538	1482	6.64
15	A"	1108	1067	1.27
16	A"	837	806	0.42
17	A"	626	603	54.39
18	A"	172	166	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.457	0.000
C2	1.333	0.326	0.000
C3	-0.996	-0.699	0.000
H4	-0.443	1.468	0.000
H5	2.185	1.005	0.000
H6	-0.468	-1.665	0.000
H7	-1.646	-0.657	0.891
H8	-1.646	-0.657	-0.891

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3393	1.5262	1.1031	2.2525	2.1736	2.1786	2.1786
C2	1.3393		2.5447	2.1110	1.0895	2.6849	3.2612	3.2612
C3	1.5262	2.5447		2.2359	3.6088	1.1016	1.1038	1.1038
H4	1.1031	2.1110	2.2359		2.6682	3.1330	2.5994	2.5994
H5	2.2525	1.0895	3.6088	2.6682		3.7642	4.2701	4.2701
H6	2.1736	2.6849	1.1016	3.1330	3.7642		1.7884	1.7884
H7	2.1786	3.2612	1.1038	2.5994	4.2701	1.7884		1.7828
H8	2.1786	3.2612	1.1038	2.5994	4.2701	1.7884	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.827	C1	C3	H6	110.581
C1	C3	H7	110.841	C1	C3	H8	110.841
C2	C1	C3	125.135	C2	C1	H4	119.298
C3	C1	H4	115.567	H6	C3	H7	108.375
H6	C3	H8	108.375	H7	C3	H8	107.724

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

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

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