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	hartrees
Energy at 0K	-116.891340
Energy at 298.15K	-116.895436
HF Energy	-116.458399
Nuclear repulsion energy	64.430498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3137	0.16
2	A'	3165	3022	18.49
3	A'	3100	2961	11.87
4	A'	3064	2927	24.65
5	A'	1850	1767	5.49
6	A'	1516	1448	8.24
7	A'	1437	1373	2.19
8	A'	1303	1245	2.00
9	A'	1148	1096	5.21
10	A'	957	914	2.05
11	A'	840	802	16.19
12	A'	420	401	7.40
13	A"	3131	2991	21.74
14	A"	1508	1440	6.74
15	A"	1110	1060	4.34
16	A"	939	897	7.50
17	A"	668	638	58.19
18	A"	209	200	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.447	0.000
C2	1.293	0.355	0.000
C3	-0.965	-0.714	0.000
H4	-0.447	1.448	0.000
H5	2.130	1.040	0.000
H6	-0.428	-1.666	0.000
H7	-1.611	-0.674	0.885
H8	-1.611	-0.674	-0.885

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2965	1.5104	1.0963	2.2114	2.1562	2.1530	2.1530
C2	1.2965		2.4988	2.0556	1.0820	2.6544	3.2056	3.2056
C3	1.5104	2.4988		2.2236	3.5584	1.0929	1.0960	1.0960
H4	1.0963	2.0556	2.2236		2.6100	3.1142	2.5768	2.5768
H5	2.2114	1.0820	3.5584	2.6100		3.7241	4.2094	4.2094
H6	2.1562	2.6544	1.0929	3.1142	3.7241		1.7794	1.7794
H7	2.1530	3.2056	1.0960	2.5768	4.2094	1.7794		1.7693
H8	2.1530	3.2056	1.0960	2.5768	4.2094	1.7794	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.607	C1	C3	H6	110.821
C1	C3	H7	110.379	C1	C3	H8	110.379
C2	C1	C3	125.635	C2	C1	H4	118.183
C3	C1	H4	116.182	H6	C3	H7	108.767
H6	C3	H8	108.767	H7	C3	H8	107.646

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

using model chemistry: CCD/6-311G**

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/6-311G**

States and conformations

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