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	hartrees
Energy at 0K	-117.009854
Energy at 298.15K	-117.014397
HF Energy	-116.466141
Nuclear repulsion energy	64.796985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3408	3408	29.71
2	A₁	3323	3323	3.42
3	A₁	3310	3310	18.95
4	A₁	1634	1634	1.73
5	A₁	1333	1333	0.46
6	A₁	1070	1070	0.01
7	A₁	448	448	0.13
8	A₂	765	765	0.00
9	A₂	569	569	0.00
10	B₁	1025	1025	19.45
11	B₁	782	782	74.30
12	B₁	544	544	11.48
13	B₂	3404	3404	9.60
14	B₂	3307	3307	18.37
15	B₂	1625	1625	0.03
16	B₂	1524	1524	2.65
17	B₂	1246	1246	0.17
18	B₂	995	995	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.448
H2	0.000	1.528
C3	1.234	-0.198
C4	-1.234	-0.198
H5	2.157	0.354
H6	-2.157	0.354
H7	1.303	-1.273
H8	-1.303	-1.273

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0802	1.3924	1.3924	2.1595	2.1595	2.1586	2.1586
H2	1.0802		2.1213	2.1213	2.4562	2.4562	3.0894	3.0894
C3	1.3924	2.1213		2.4673	1.0759	3.4357	1.0778	2.7551
C4	1.3924	2.1213	2.4673		3.4357	1.0759	2.7551	1.0778
H5	2.1595	2.4562	1.0759	3.4357		4.3148	1.8380	3.8237
H6	2.1595	2.4562	3.4357	1.0759	4.3148		3.8237	1.8380
H7	2.1586	3.0894	1.0778	2.7551	1.8380	3.8237		2.6056
H8	2.1586	3.0894	2.7551	1.0778	3.8237	1.8380	2.6056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.535	C1	C3	H7	121.299
C1	C4	H6	121.535	C1	C4	H8	121.299
H2	C1	C3	117.622	H2	C1	C4	117.622
C3	C1	C4	124.756	H5	C3	H7	117.166
H6	C4	H8	117.166

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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