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	hartrees
Energy at 0K	-117.018862
Energy at 298.15K	-117.023203
HF Energy	-116.508779
Nuclear repulsion energy	65.142099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3268	3084
2	A₁	3166	2988
3	A₁	3160	2983
4	A₁	1538	1452
5	A₁	1299	1226
6	A₁	1056	997
7	A₁	431	407
8	A₂	826	779
9	A₂	590	556
10	B₁	1059	1000
11	B₁	851	804
12	B₁	554	523
13	B₂	3264	3081
14	B₂	3158	2981
15	B₂	1505	1421
16	B₂	1419	1339
17	B₂	1145	1080
18	B₂	943	890

Atom	y (Å)	z (Å)
C1	0.000	0.446
H2	0.000	1.533
C3	1.220	-0.197
C4	-1.220	-0.197
H5	2.150	0.356
H6	-2.150	0.356
H7	1.275	-1.279
H8	-1.275	-1.279

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0872	1.3793	1.3793	2.1517	2.1517	2.1454	2.1454
H2	1.0872		2.1172	2.1172	2.4513	2.4513	3.0881	3.0881
C3	1.3793	2.1172		2.4405	1.0813	3.4150	1.0838	2.7200
C4	1.3793	2.1172	2.4405		3.4150	1.0813	2.7200	1.0838
H5	2.1517	2.4513	1.0813	3.4150		4.2997	1.8541	3.7951
H6	2.1517	2.4513	3.4150	1.0813	4.2997		3.7951	1.8541
H7	2.1454	3.0881	1.0838	2.7200	1.8541	3.7951		2.5502
H8	2.1454	3.0881	2.7200	1.0838	3.7951	1.8541	2.5502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.494	C1	C3	H7	120.688
C1	C4	H6	121.494	C1	C4	H8	120.688
H2	C1	C3	117.786	H2	C1	C4	117.786
C3	C1	C4	124.428	H5	C3	H7	117.818
H6	C4	H8	117.818

All results from a given calculation for C₃H₅ (Allyl radical)

using model chemistry: MP4/6-311+G(3df,2p)

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 C3H5 (Allyl radical)

using model chemistry: MP4/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₅ (Allyl radical)