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	hartrees
Energy at 0K	-116.099844
Energy at 298.15K	-116.104100
HF Energy	-115.821880
Nuclear repulsion energy	64.367241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3218	3119	20.46
2	A₁	3127	3031	0.70
3	A₁	3118	3022	14.88
4	A₁	1564	1516	2.08
5	A₁	1290	1250	0.14
6	A₁	1040	1008	0.21
7	A₁	447	433	0.00
8	A₂	762	739	0.00
9	A₂	548	531	0.00
10	B₁	991	961	23.93
11	B₁	778	754	81.83
12	B₁	527	511	13.51
13	B₂	3213	3114	7.03
14	B₂	3121	3024	9.36
15	B₂	1537	1490	1.19
16	B₂	1465	1420	2.91
17	B₂	1175	1139	0.02
18	B₂	975	945	0.24

Atom	y (Å)	z (Å)
C1	0.000	0.452
H2	0.000	1.545
C3	1.238	-0.199
C4	-1.238	-0.199
H5	2.175	0.353
H6	-2.175	0.353
H7	1.302	-1.288
H8	-1.302	-1.288

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0930	1.3990	1.3990	2.1777	2.1777	2.1734	2.1734
H2	1.0930		2.1393	2.1393	2.4806	2.4806	3.1181	3.1181
C3	1.3990	2.1393		2.4760	1.0882	3.4579	1.0905	2.7634
C4	1.3990	2.1393	2.4760		3.4579	1.0882	2.7634	1.0905
H5	2.1777	2.4806	1.0882	3.4579		4.3508	1.8592	3.8452
H6	2.1777	2.4806	3.4579	1.0882	4.3508		3.8452	1.8592
H7	2.1734	3.1181	1.0905	2.7634	1.8592	3.8452		2.6039
H8	2.1734	3.1181	2.7634	1.0905	3.8452	1.8592	2.6039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.718	C1	C3	H7	121.122
C1	C4	H6	121.718	C1	C4	H8	121.122
H2	C1	C3	117.760	H2	C1	C4	117.760
C3	C1	C4	124.480	H5	C3	H7	117.161
H6	C4	H8	117.161

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

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

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