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	hartrees
Energy at 0K	-116.899073
Energy at 298.15K	-116.903176
HF Energy	-116.468124
Nuclear repulsion energy	64.672327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3310	3138	0.21
2	A'	3175	3010	18.70
3	A'	3112	2951	10.94
4	A'	3076	2916	25.15
5	A'	1868	1771	6.56
6	A'	1523	1444	8.33
7	A'	1448	1373	1.97
8	A'	1319	1251	1.66
9	A'	1155	1095	4.21
10	A'	958	909	1.42
11	A'	849	805	15.14
12	A'	425	403	7.30
13	A"	3142	2979	19.74
14	A"	1504	1426	6.69
15	A"	1114	1056	6.33
16	A"	936	887	8.81
17	A"	669	634	60.50
18	A"	206	196	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.445	0.000
C2	1.288	0.356	0.000
C3	-0.961	-0.713	0.000
H4	-0.448	1.442	0.000
H5	2.122	1.038	0.000
H6	-0.426	-1.661	0.000
H7	-1.604	-0.675	0.882
H8	-1.604	-0.675	-0.882

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2909	1.5051	1.0925	2.2029	2.1493	2.1459	2.1459
C2	1.2909		2.4901	2.0476	1.0774	2.6470	3.1943	3.1943
C3	1.5051	2.4901		2.2147	3.5455	1.0891	1.0920	1.0920
H4	1.0925	2.0476	2.2147		2.6015	3.1031	2.5673	2.5673
H5	2.2029	1.0774	3.5455	2.6015		3.7118	4.1944	4.1944
H6	2.1493	2.6470	1.0891	3.1031	3.7118		1.7721	1.7721
H7	2.1459	3.1943	1.0920	2.5673	4.1944	1.7721		1.7633
H8	2.1459	3.1943	1.0920	2.5673	4.1944	1.7721	1.7633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.746	C1	C3	H6	110.873
C1	C3	H7	110.423	C1	C3	H8	110.423
C2	C1	C3	125.718	C2	C1	H4	118.197
C3	C1	H4	116.085	H6	C3	H7	108.675
H6	C3	H8	108.675	H7	C3	H8	107.684

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

using model chemistry: CCD/TZVP

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/TZVP

States and conformations

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