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	hartrees
Energy at 0K	-116.746695
Energy at 298.15K	-116.750779
HF Energy	-116.438048
Nuclear repulsion energy	63.566147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3213	3213	45.65
2	A₁	3115	3115	6.02
3	A₁	3096	3096	21.93
4	A₁	1527	1527	4.28
5	A₁	1256	1256	0.03
6	A₁	1016	1016	0.43
7	A₁	420	420	0.00
8	A₂	690	690	0.00
9	A₂	519	519	0.00
10	B₁	944	944	41.44
11	B₁	697	697	99.02
12	B₁	503	503	19.27
13	B₂	3205	3205	11.24
14	B₂	3095	3095	19.89
15	B₂	1507	1507	3.06
16	B₂	1421	1421	3.80
17	B₂	1170	1170	0.18
18	B₂	928	928	0.58

Atom	y (Å)	z (Å)
C1	0.000	0.456
H2	0.000	1.556
C3	1.258	-0.202
C4	-1.258	-0.202
H5	2.198	0.362
H6	-2.198	0.362
H7	1.327	-1.298
H8	-1.327	-1.298

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1007	1.4197	1.4197	2.2004	2.2004	2.1992	2.1992
H2	1.1007		2.1620	2.1620	2.5018	2.5018	3.1476	3.1476
C3	1.4197	2.1620		2.5166	1.0963	3.5024	1.0982	2.8083
C4	1.4197	2.1620	2.5166		3.5024	1.0963	2.8083	1.0982
H5	2.2004	2.5018	1.0963	3.5024		4.3968	1.8747	3.8969
H6	2.2004	2.5018	3.5024	1.0963	4.3968		3.8969	1.8747
H7	2.1992	3.1476	1.0982	2.8083	1.8747	3.8969		2.6545
H8	2.1992	3.1476	2.8083	1.0982	3.8969	1.8747	2.6545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.454	C1	C3	H7	121.187
C1	C4	H6	121.454	C1	C4	H8	121.187
H2	C1	C3	117.586	H2	C1	C4	117.586
C3	C1	C4	124.827	H5	C3	H7	117.359
H6	C4	H8	117.359

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

using model chemistry: CCSD=FULL/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=FULL/SDD

States and conformations

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