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	hartrees
Energy at 0K	-116.705693
Energy at 298.15K	-116.709774
HF Energy	-116.438010
Nuclear repulsion energy	63.554164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3212	3030	45.82
2	A₁	3115	2937	6.29
3	A₁	3096	2920	21.61
4	A₁	1526	1439	4.27
5	A₁	1256	1184	0.03
6	A₁	1016	958	0.42
7	A₁	420	396	0.00
8	A₂	689	649	0.00
9	A₂	519	489	0.00
10	B₁	943	890	41.50
11	B₁	695	656	99.01
12	B₁	502	474	19.15
13	B₂	3205	3022	11.31
14	B₂	3094	2918	19.95
15	B₂	1506	1420	3.02
16	B₂	1421	1340	3.78
17	B₂	1169	1103	0.17
18	B₂	928	876	0.58

Atom	y (Å)	z (Å)
C1	0.000	0.456
H2	0.000	1.557
C3	1.258	-0.202
C4	-1.258	-0.202
H5	2.199	0.362
H6	-2.199	0.362
H7	1.327	-1.298
H8	-1.327	-1.298

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1007	1.4201	1.4201	2.2008	2.2008	2.1996	2.1996
H2	1.1007		2.1626	2.1626	2.5025	2.5025	3.1482	3.1482
C3	1.4201	2.1626		2.5170	1.0964	3.5030	1.0983	2.8083
C4	1.4201	2.1626	2.5170		3.5030	1.0964	2.8083	1.0983
H5	2.2008	2.5025	1.0964	3.5030		4.3976	1.8750	3.8971
H6	2.2008	2.5025	3.5030	1.0964	4.3976		3.8971	1.8750
H7	2.1996	3.1482	1.0983	2.8083	1.8750	3.8971		2.6542
H8	2.1996	3.1482	2.8083	1.0983	3.8971	1.8750	2.6542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.451	C1	C3	H7	121.182
C1	C4	H6	121.451	C1	C4	H8	121.182
H2	C1	C3	117.601	H2	C1	C4	117.601
C3	C1	C4	124.798	H5	C3	H7	117.367
H6	C4	H8	117.367

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

using model chemistry: CCSD/SDD

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: CCSD/SDD

States and conformations

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