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	hartrees
Energy at 0K	-19.562936
Energy at 298.15K	-19.566977
HF Energy	-19.286196
Nuclear repulsion energy	35.294455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3149	3003	43.84
2	A₁	3058	2916	8.01
3	A₁	3034	2893	18.66
4	A₁	1511	1441	2.39
5	A₁	1245	1187	0.24
6	A₁	1004	958	0.12
7	A₁	419	400	0.01
8	A₂	655	625	0.00
9	A₂	506	483	0.00
10	B₁	908	866	45.92
11	B₁	639	609	89.85
12	B₁	490	467	8.86
13	B₂	3143	2998	13.03
14	B₂	3032	2891	17.50
15	B₂	1494	1425	1.76
16	B₂	1402	1337	2.82
17	B₂	1160	1106	0.21
18	B₂	928	885	0.17

Atom	y (Å)	z (Å)
C1	0.000	0.462
H2	0.000	1.563
C3	1.260	-0.204
C4	-1.260	-0.204
H5	2.203	0.356
H6	-2.203	0.356
H7	1.323	-1.301
H8	-1.323	-1.301

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1007	1.4252	1.4252	2.2059	2.2059	2.2042	2.2042
H2	1.1007		2.1699	2.1699	2.5124	2.5124	3.1548	3.1548
C3	1.4252	2.1699		2.5201	1.0967	3.5082	1.0993	2.8061
C4	1.4252	2.1699	2.5201		3.5082	1.0967	2.8061	1.0993
H5	2.2059	2.5124	1.0967	3.5082		4.4066	1.8765	3.8958
H6	2.2059	2.5124	3.5082	1.0967	4.4066		3.8958	1.8765
H7	2.2042	3.1548	1.0993	2.8061	1.8765	3.8958		2.6450
H8	2.2042	3.1548	2.8061	1.0993	3.8958	1.8765	2.6450

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.475	C1	C3	H7	121.114
C1	C4	H6	121.475	C1	C4	H8	121.114
H2	C1	C3	117.855	H2	C1	C4	117.855
C3	C1	C4	124.290	H5	C3	H7	117.411
H6	C4	H8	117.411

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

using model chemistry: QCISD/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: QCISD/CEP-121G

States and conformations

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