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	hartrees
Energy at 0K	-116.657931
Energy at 298.15K	-116.662032
HF Energy	-116.386596
Nuclear repulsion energy	63.827319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3117	2.77
2	A'	3110	2984	26.22
3	A'	3063	2939	13.31
4	A'	3018	2896	28.26
5	A'	1736	1666	1.42
6	A'	1549	1487	6.78
7	A'	1475	1415	2.66
8	A'	1349	1294	2.01
9	A'	1157	1110	8.06
10	A'	967	928	0.22
11	A'	851	817	14.12
12	A'	438	420	6.28
13	A"	3081	2956	28.95
14	A"	1539	1477	7.44
15	A"	1143	1097	2.54
16	A"	964	925	4.03
17	A"	680	652	59.90
18	A"	193	185	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.453	0.000
C2	1.310	0.355	0.000
C3	-0.977	-0.717	0.000
H4	-0.464	1.452	0.000
H5	2.152	1.044	0.000
H6	-0.434	-1.675	0.000
H7	-1.627	-0.684	0.891
H8	-1.627	-0.684	-0.891

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3135	1.5238	1.1019	2.2317	2.1716	2.1751	2.1751
C2	1.3135		2.5251	2.0862	1.0881	2.6761	3.2395	3.2395
C3	1.5238	2.5251		2.2287	3.5900	1.1008	1.1033	1.1033
H4	1.1019	2.0862	2.2287		2.6483	3.1272	2.5895	2.5895
H5	2.2317	1.0881	3.5900	2.6483		3.7523	4.2492	4.2492
H6	2.1716	2.6761	1.1008	3.1272	3.7523		1.7883	1.7883
H7	2.1751	3.2395	1.1033	2.5895	4.2492	1.7883		1.7819
H8	2.1751	3.2395	1.1033	2.5895	4.2492	1.7883	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.440	C1	C3	H6	110.630
C1	C3	H7	110.755	C1	C3	H8	110.755
C2	C1	C3	125.576	C2	C1	H4	119.210
C3	C1	H4	115.215	H6	C3	H7	108.449
H6	C3	H8	108.449	H7	C3	H8	107.705

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

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

States and conformations

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