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	hartrees
Energy at 0K	-115.231126
Energy at 298.15K	-115.235209
HF Energy	-115.051935
Nuclear repulsion energy	63.962514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3526	3526	1.11
2	A₁	3419	3419	0.08
3	A₁	3375	3375	0.01
4	A₁	1649	1649	0.00
5	A₁	1354	1354	0.15
6	A₁	1096	1096	0.02
7	A₁	438	438	0.00
8	A₂	770	770	0.00
9	A₂	629	629	0.00
10	B₁	1097	1097	3.96
11	B₁	776	776	20.26
12	B₁	567	567	2.92
13	B₂	3524	3524	0.10
14	B₂	3368	3368	6.15
15	B₂	1597	1597	2.03
16	B₂	1503	1503	0.45
17	B₂	1132	1132	2.02
18	B₂	988	988	0.12

Atom	y (Å)	z (Å)
C1	0.000	0.454
H2	0.000	1.563
C3	1.241	-0.200
C4	-1.241	-0.200
H5	2.192	0.361
H6	-2.192	0.361
H7	1.307	-1.304
H8	-1.307	-1.304

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1088	1.4029	1.4029	2.1940	2.1940	2.1903	2.1903
H2	1.1088		2.1563	2.1563	2.5001	2.5001	3.1504	3.1504
C3	1.4029	2.1563		2.4816	1.1044	3.4784	1.1051	2.7761
C4	1.4029	2.1563	2.4816		3.4784	1.1044	2.7761	1.1051
H5	2.1940	2.5001	1.1044	3.4784		4.3841	1.8851	3.8744
H6	2.1940	2.5001	3.4784	1.1044	4.3841		3.8744	1.8851
H7	2.1903	3.1504	1.1051	2.7761	1.8851	3.8744		2.6133
H8	2.1903	3.1504	2.7761	1.1051	3.8744	1.8851	2.6133

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.644	C1	C3	H7	121.238
C1	C4	H6	121.644	C1	C4	H8	121.238
H2	C1	C3	117.820	H2	C1	C4	117.820
C3	C1	C4	124.361	H5	C3	H7	117.118
H6	C4	H8	117.118

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

using model chemistry: CCD/STO-3G

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: CCD/STO-3G

States and conformations

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