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	hartrees
Energy at 0K	-116.852147
Energy at 298.15K	-116.856467
HF Energy	-116.489208
Nuclear repulsion energy	65.116558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3312	3147	14.39
2	A₁	3207	3048	0.45
3	A₁	3201	3042	14.85
4	A₁	1561	1484	4.11
5	A₁	1317	1251	0.89
6	A₁	1071	1018	0.23
7	A₁	441	419	0.04
8	A₂	790	751	0.00
9	A₂	585	556	0.00
10	B₁	1045	993	31.28
11	B₁	809	769	95.22
12	B₁	557	529	19.64
13	B₂	3309	3145	3.91
14	B₂	3197	3039	9.62
15	B₂	1524	1449	1.12
16	B₂	1439	1368	10.62
17	B₂	1140	1083	0.46
18	B₂	960	913	0.32

Atom	y (Å)	z (Å)
C1	0.000	0.447
H2	0.000	1.535
C3	1.218	-0.197
C4	-1.218	-0.197
H5	2.148	0.356
H6	-2.148	0.356
H7	1.277	-1.280
H8	-1.277	-1.280

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0881	1.3776	1.3776	2.1500	2.1500	2.1475	2.1475
H2	1.0881		2.1173	2.1173	2.4500	2.4500	3.0908	3.0908
C3	1.3776	2.1173		2.4359	1.0824	3.4112	1.0843	2.7198
C4	1.3776	2.1173	2.4359		3.4112	1.0824	2.7198	1.0843
H5	2.1500	2.4500	1.0824	3.4112		4.2961	1.8537	3.7959
H6	2.1500	2.4500	3.4112	1.0824	4.2961		3.7959	1.8537
H7	2.1475	3.0908	1.0843	2.7198	1.8537	3.7959		2.5541
H8	2.1475	3.0908	2.7198	1.0843	3.7959	1.8537	2.5541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.377	C1	C3	H7	120.984
C1	C4	H6	121.377	C1	C4	H8	120.984
H2	C1	C3	117.860	H2	C1	C4	117.860
C3	C1	C4	124.279	H5	C3	H7	117.638
H6	C4	H8	117.638

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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