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	hartrees
Energy at 0K	-116.060377
Energy at 298.15K	-116.064456
HF Energy	-115.783124
Nuclear repulsion energy	63.978530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3236	3139
2	A'	3113	3019
3	A'	3046	2954
4	A'	3027	2935
5	A'	1782	1728
6	A'	1569	1522
7	A'	1470	1426
8	A'	1356	1315
9	A'	1143	1109
10	A'	947	918
11	A'	838	813
12	A'	434	421
13	A"	3086	2993
14	A"	1565	1518
15	A"	1141	1107
16	A"	969	939
17	A"	680	659
18	A"	181	175

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.458	0.000
C2	1.299	0.365	0.000
C3	-0.969	-0.730	0.000
H4	-0.479	1.447	0.000
H5	2.129	1.064	0.000
H6	-0.408	-1.674	0.000
H7	-1.613	-0.698	0.891
H8	-1.613	-0.698	-0.891

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.3023	1.5325	1.0992	2.2137	2.1707	2.1748	2.1748
C2	1.3023		2.5183	2.0809	1.0848	2.6600	3.2253	3.2253
C3	1.5325	2.5183		2.2318	3.5795	1.0978	1.1001	1.1001
H4	1.0992	2.0809	2.2318		2.6356	3.1223	2.5848	2.5848
H5	2.2137	1.0848	3.5795	2.6356		3.7332	4.2306	4.2306
H6	2.1707	2.6600	1.0978	3.1223	3.7332		1.7883	1.7883
H7	2.1748	3.2253	1.1001	2.5848	4.2306	1.7883		1.7825
H8	2.1748	3.2253	1.1001	2.5848	4.2306	1.7883	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	135.857	C1	C3	H6	110.132
C1	C3	H7	110.317	C1	C3	H8	110.317
C2	C1	C3	125.132	C2	C1	H4	119.869
C3	C1	H4	114.999	H6	C3	H7	108.906
H6	C3	H8	108.906	H7	C3	H8	108.215

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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