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	hartrees
Energy at 0K	-116.805122
Energy at 298.15K	-116.809237
HF Energy	-116.427558
Nuclear repulsion energy	64.548305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3320	3116	1.05
2	A'	3204	3008	15.77
3	A'	3135	2942	12.58
4	A'	3103	2912	22.16
5	A'	1884	1768	3.60
6	A'	1551	1456	7.78
7	A'	1471	1380	2.28
8	A'	1338	1256	1.85
9	A'	1171	1099	7.64
10	A'	977	917	2.09
11	A'	865	812	16.77
12	A'	428	401	7.74
13	A"	3170	2975	20.16
14	A"	1544	1449	7.39
15	A"	1136	1066	2.41
16	A"	954	896	6.74
17	A"	681	639	57.66
18	A"	211	199	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.447	0.000
C2	1.291	0.353	0.000
C3	-0.963	-0.712	0.000
H4	-0.451	1.445	0.000
H5	2.125	1.041	0.000
H6	-0.424	-1.662	0.000
H7	-1.609	-0.675	0.883
H8	-1.609	-0.675	-0.883

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2941	1.5062	1.0956	2.2068	2.1508	2.1514	2.1514
C2	1.2941		2.4920	2.0557	1.0817	2.6456	3.2011	3.2011
C3	1.5062	2.4920		2.2170	3.5506	1.0920	1.0951	1.0951
H4	1.0956	2.0557	2.2170		2.6074	3.1073	2.5728	2.5728
H5	2.2068	1.0817	3.5506	2.6074		3.7155	4.2039	4.2039
H6	2.1508	2.6456	1.0920	3.1073	3.7155		1.7769	1.7769
H7	2.1514	3.2011	1.0951	2.5728	4.2039	1.7769		1.7658
H8	2.1514	3.2011	1.0951	2.5728	4.2039	1.7769	1.7658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.323	C1	C3	H6	110.740
C1	C3	H7	110.602	C1	C3	H8	110.602
C2	C1	C3	125.557	C2	C1	H4	118.453
C3	C1	H4	115.990	H6	C3	H7	108.675
H6	C3	H8	108.675	H7	C3	H8	107.453

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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