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	hartrees
Energy at 0K	-116.098896
Energy at 298.15K	-116.103147
HF Energy	-115.821925
Nuclear repulsion energy	64.397215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3219	3036	20.20
2	A₁	3129	2951	0.94
3	A₁	3119	2941	14.43
4	A₁	1565	1476	2.10
5	A₁	1292	1218	0.14
6	A₁	1042	983	0.22
7	A₁	448	422	0.00
8	A₂	766	722	0.00
9	A₂	549	518	0.00
10	B₁	992	936	23.84
11	B₁	781	736	82.30
12	B₁	528	498	13.42
13	B₂	3214	3031	6.91
14	B₂	3122	2944	9.15
15	B₂	1537	1450	1.23
16	B₂	1465	1382	3.06
17	B₂	1169	1102	0.04
18	B₂	976	920	0.25

Atom	y (Å)	z (Å)
C1	0.000	0.452
H2	0.000	1.545
C3	1.237	-0.199
C4	-1.237	-0.199
H5	2.175	0.353
H6	-2.175	0.353
H7	1.301	-1.288
H8	-1.301	-1.288

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0929	1.3981	1.3981	2.1768	2.1768	2.1726	2.1726
H2	1.0929		2.1384	2.1384	2.4797	2.4797	3.1173	3.1173
C3	1.3981	2.1384		2.4744	1.0881	3.4562	1.0904	2.7620
C4	1.3981	2.1384	2.4744		3.4562	1.0881	2.7620	1.0904
H5	2.1768	2.4797	1.0881	3.4562		4.3492	1.8588	3.8438
H6	2.1768	2.4797	3.4562	1.0881	4.3492		3.8438	1.8588
H7	2.1726	3.1173	1.0904	2.7620	1.8588	3.8438		2.6027
H8	2.1726	3.1173	2.7620	1.0904	3.8438	1.8588	2.6027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.724	C1	C3	H7	121.135
C1	C4	H6	121.724	C1	C4	H8	121.135
H2	C1	C3	117.763	H2	C1	C4	117.763
C3	C1	C4	124.474	H5	C3	H7	117.140
H6	C4	H8	117.140

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

using model chemistry: CCSD/3-21G*

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/3-21G*

States and conformations

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