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	hartrees
Energy at 0K	-116.019442
Energy at 298.15K	-116.023587
HF Energy	-115.783349
Nuclear repulsion energy	64.248415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3294	3133	2.00
2	A'	3175	3021	14.37
3	A'	3112	2960	7.64
4	A'	3086	2936	17.76
5	A'	1795	1707	0.61
6	A'	1595	1518	7.18
7	A'	1490	1417	2.88
8	A'	1377	1310	3.03
9	A'	1165	1109	12.21
10	A'	969	922	0.36
11	A'	861	819	12.04
12	A'	445	424	6.70
13	A"	3149	2996	18.71
14	A"	1591	1513	7.92
15	A"	1166	1109	1.73
16	A"	1002	953	3.63
17	A"	693	659	66.46
18	A"	202	192	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.455	0.000
C2	1.294	0.363	0.000
C3	-0.965	-0.726	0.000
H4	-0.474	1.441	0.000
H5	2.120	1.060	0.000
H6	-0.408	-1.668	0.000
H7	-1.607	-0.694	0.887
H8	-1.607	-0.694	-0.887

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2972	1.5253	1.0943	2.2045	2.1618	2.1656	2.1656
C2	1.2972		2.5078	2.0709	1.0805	2.6502	3.2124	3.2124
C3	1.5253	2.5078		2.2225	3.5645	1.0935	1.0957	1.0957
H4	1.0943	2.0709	2.2225		2.6221	3.1098	2.5750	2.5750
H5	2.2045	1.0805	3.5645	2.6221		3.7192	4.2133	4.2133
H6	2.1618	2.6502	1.0935	3.1098	3.7192		1.7807	1.7807
H7	2.1656	3.2124	1.0957	2.5750	4.2133	1.7807		1.7748
H8	2.1656	3.2124	1.0957	2.5750	4.2133	1.7807	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.805	C1	C3	H6	110.189
C1	C3	H7	110.352	C1	C3	H8	110.352
C2	C1	C3	125.173	C2	C1	H4	119.737
C3	C1	H4	115.089	H6	C3	H7	108.863
H6	C3	H8	108.863	H7	C3	H8	108.169

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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