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	hartrees
Energy at 0K	-19.552133
Energy at 298.15K	-19.556286
HF Energy	-19.286651
Nuclear repulsion energy	35.447036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3167	2986	39.47
2	A₁	3073	2898	6.58
3	A₁	3051	2877	17.88
4	A₁	1523	1437	2.87
5	A₁	1267	1194	0.29
6	A₁	1025	967	0.15
7	A₁	427	402	0.01
8	A₂	700	660	0.00
9	A₂	537	507	0.00
10	B₁	955	901	46.24
11	B₁	692	652	97.74
12	B₁	517	488	11.22
13	B₂	3161	2982	11.21
14	B₂	3049	2875	17.28
15	B₂	1496	1411	1.55
16	B₂	1408	1328	5.25
17	B₂	1133	1068	0.07
18	B₂	936	883	0.26

Atom	y (Å)	z (Å)
C1	0.000	0.458
H2	0.000	1.558
C3	1.252	-0.202
C4	-1.252	-0.202
H5	2.195	0.358
H6	-2.195	0.358
H7	1.318	-1.298
H8	-1.318	-1.298

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1001	1.4154	1.4154	2.1968	2.1968	2.1953	2.1953
H2	1.1001		2.1598	2.1598	2.5013	2.5013	3.1454	3.1454
C3	1.4154	2.1598		2.5048	1.0958	3.4921	1.0984	2.7942
C4	1.4154	2.1598	2.5048		3.4921	1.0958	2.7942	1.0984
H5	2.1968	2.5013	1.0958	3.4921		4.3891	1.8738	3.8830
H6	2.1968	2.5013	3.4921	1.0958	4.3891		3.8830	1.8738
H7	2.1953	3.1454	1.0984	2.7942	1.8738	3.8830		2.6354
H8	2.1953	3.1454	2.7942	1.0984	3.8830	1.8738	2.6354

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.526	C1	C3	H7	121.179
C1	C4	H6	121.526	C1	C4	H8	121.179
H2	C1	C3	117.770	H2	C1	C4	117.770
C3	C1	C4	124.459	H5	C3	H7	117.296
H6	C4	H8	117.296

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

using model chemistry: CCD/CEP-121G

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-121G

States and conformations

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