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	hartrees
Energy at 0K	-116.920807
Energy at 298.15K	-116.925043
HF Energy	-116.481485
Nuclear repulsion energy	64.844866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3329	3329	19.01
2	A₁	3230	3230	0.26
3	A₁	3222	3222	18.08
4	A₁	1570	1570	2.02
5	A₁	1300	1300	0.77
6	A₁	1056	1056	0.02
7	A₁	433	433	0.13
8	A₂	756	756	0.00
9	A₂	551	551	0.00
10	B₁	998	998	32.27
11	B₁	767	767	87.30
12	B₁	524	524	18.07
13	B₂	3326	3326	5.74
14	B₂	3221	3221	10.16
15	B₂	1554	1554	0.60
16	B₂	1455	1455	2.82
17	B₂	1204	1204	0.17
18	B₂	958	958	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.451
H2	0.000	1.535
C3	1.229	-0.199
C4	-1.229	-0.199
H5	2.157	0.351
H6	-2.157	0.351
H7	1.287	-1.279
H8	-1.287	-1.279

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0845	1.3898	1.3898	2.1597	2.1597	2.1557	2.1557
H2	1.0845		2.1252	2.1252	2.4609	2.4609	3.0943	3.0943
C3	1.3898	2.1252		2.4573	1.0795	3.4305	1.0816	2.7375
C4	1.3898	2.1252	2.4573		3.4305	1.0795	2.7375	1.0816
H5	2.1597	2.4609	1.0795	3.4305		4.3148	1.8481	3.8105
H6	2.1597	2.4609	3.4305	1.0795	4.3148		3.8105	1.8481
H7	2.1557	3.0943	1.0816	2.7375	1.8481	3.8105		2.5735
H8	2.1557	3.0943	2.7375	1.0816	3.8105	1.8481	2.5735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.496	C1	C3	H7	120.944
C1	C4	H6	121.496	C1	C4	H8	120.944
H2	C1	C3	117.864	H2	C1	C4	117.864
C3	C1	C4	124.273	H5	C3	H7	117.560
H6	C4	H8	117.560

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

using model chemistry: CCSD=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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