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	hartrees
Energy at 0K	-19.680666
Energy at 298.15K	-19.684885
HF Energy	-19.320960
Nuclear repulsion energy	35.514621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3271	3085	35.97
2	A₁	3184	3003	4.28
3	A₁	3164	2984	18.15
4	A₁	1542	1455	3.10
5	A₁	1298	1224	0.36
6	A₁	1042	983	0.24
7	A₁	425	400	0.04
8	A₂	738	696	0.00
9	A₂	562	530	0.00
10	B₁	1042	983	39.11
11	B₁	777	733	128.44
12	B₁	544	513	24.94
13	B₂	3263	3078	11.37
14	B₂	3164	2984	23.52
15	B₂	1519	1432	0.16
16	B₂	1411	1331	6.42
17	B₂	1170	1104	0.03
18	B₂	920	868	0.11

Atom	y (Å)	z (Å)
C1	0.000	0.463
H2	0.000	1.563
C3	1.245	-0.204
C4	-1.245	-0.204
H5	2.191	0.353
H6	-2.191	0.353
H7	1.295	-1.301
H8	-1.295	-1.301

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0998	1.4123	1.4123	2.1940	2.1940	2.1886	2.1886
H2	1.0998		2.1613	2.1613	2.5030	2.5030	3.1433	3.1433
C3	1.4123	2.1613		2.4898	1.0981	3.4810	1.0984	2.7669
C4	1.4123	2.1613	2.4898		3.4810	1.0981	2.7669	1.0984
H5	2.1940	2.5030	1.0981	3.4810		4.3825	1.8814	3.8590
H6	2.1940	2.5030	3.4810	1.0981	4.3825		3.8590	1.8814
H7	2.1886	3.1433	1.0984	2.7669	1.8814	3.8590		2.5903
H8	2.1886	3.1433	2.7669	1.0984	3.8590	1.8814	2.5903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.333	C1	C3	H7	120.803
C1	C4	H6	121.333	C1	C4	H8	120.803
H2	C1	C3	118.181	H2	C1	C4	118.181
C3	C1	C4	123.637	H5	C3	H7	117.864
H6	C4	H8	117.864

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

using model chemistry: CCD/CEP-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 C3H5 (Allyl radical)

using model chemistry: CCD/CEP-31G*

States and conformations

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