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	hartrees
Energy at 0K	-116.942670
Energy at 298.15K	-116.947042
HF Energy	-116.508969
Nuclear repulsion energy	65.399186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3350	3095	10.00
2	A₁	3253	3006	0.87
3	A₁	3245	2998	10.42
4	A₁	1580	1460	3.05
5	A₁	1322	1221	1.10
6	A₁	1073	992	0.00
7	A₁	441	407	0.20
8	A₂	832	768	0.00
9	A₂	589	545	0.00
10	B₁	1063	982	22.10
11	B₁	858	792	79.16
12	B₁	558	515	17.67
13	B₂	3347	3093	3.15
14	B₂	3241	2994	7.46
15	B₂	1553	1435	0.62
16	B₂	1464	1352	6.37
17	B₂	1174	1085	0.20
18	B₂	966	892	0.01

Atom	y (Å)	z (Å)
C1	0.000	0.445
H2	0.000	1.524
C3	1.217	-0.196
C4	-1.217	-0.196
H5	2.140	0.354
H6	-2.140	0.354
H7	1.276	-1.271
H8	-1.276	-1.271

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0793	1.3755	1.3755	2.1417	2.1417	2.1379	2.1379
H2	1.0793		2.1072	2.1072	2.4388	2.4388	3.0723	3.0723
C3	1.3755	2.1072		2.4341	1.0742	3.4016	1.0763	2.7146
C4	1.3755	2.1072	2.4341		3.4016	1.0742	2.7146	1.0763
H5	2.1417	2.4388	1.0742	3.4016		4.2795	1.8402	3.7822
H6	2.1417	2.4388	3.4016	1.0742	4.2795		3.7822	1.8402
H7	2.1379	3.0723	1.0763	2.7146	1.8402	3.7822		2.5515
H8	2.1379	3.0723	2.7146	1.0763	3.7822	1.8402	2.5515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.428	C1	C3	H7	120.899
C1	C4	H6	121.428	C1	C4	H8	120.899
H2	C1	C3	117.772	H2	C1	C4	117.772
C3	C1	C4	124.456	H5	C3	H7	117.673
H6	C4	H8	117.673

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

using model chemistry: CID/6-311+G(3df,2p)

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: CID/6-311+G(3df,2p)

States and conformations

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