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	hartrees
Energy at 0K	-116.709764
Energy at 298.15K	-116.713806
HF Energy	-116.437333
Nuclear repulsion energy	63.456250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3200	3018
2	A₁	3098	2922
3	A₁	3082	2906
4	A₁	1520	1433
5	A₁	1250	1179
6	A₁	1009	952
7	A₁	416	392
8	A₂	672	634
9	A₂	512	483
10	B₁	932	879
11	B₁	675	637
12	B₁	495	467
13	B₂	3193	3011
14	B₂	3080	2905
15	B₂	1501	1416
16	B₂	1416	1335
17	B₂	1169	1103
18	B₂	922	870

Atom	y (Å)	z (Å)
C1	0.000	0.457
H2	0.000	1.560
C3	1.260	-0.202
C4	-1.260	-0.202
H5	2.202	0.362
H6	-2.202	0.362
H7	1.328	-1.300
H8	-1.328	-1.300

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1024	1.4226	1.4226	2.2041	2.2041	2.2024	2.2024
H2	1.1024		2.1664	2.1664	2.5068	2.5068	3.1528	3.1528
C3	1.4226	2.1664		2.5208	1.0976	3.5081	1.0997	2.8112
C4	1.4226	2.1664	2.5208		3.5081	1.0976	2.8112	1.0997
H5	2.2041	2.5068	1.0976	3.5081		4.4041	1.8776	3.9012
H6	2.2041	2.5068	3.5081	1.0976	4.4041		3.9012	1.8776
H7	2.2024	3.1528	1.0997	2.8112	1.8776	3.9012		2.6553
H8	2.2024	3.1528	2.8112	1.0997	3.9012	1.8776	2.6553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.455	C1	C3	H7	121.130
C1	C4	H6	121.455	C1	C4	H8	121.130
H2	C1	C3	117.625	H2	C1	C4	117.625
C3	C1	C4	124.751	H5	C3	H7	117.415
H6	C4	H8	117.415

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

using model chemistry: CCSD(T)/LANL2DZ

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(T)/LANL2DZ

States and conformations

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