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	hartrees
Energy at 0K	-116.854570
Energy at 298.15K	-116.858899
HF Energy	-116.481434
Nuclear repulsion energy	65.145594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3393	3135	16.69
2	A₁	3293	3043	0.26
3	A₁	3285	3035	16.54
4	A₁	1601	1480	2.37
5	A₁	1330	1229	0.78
6	A₁	1080	998	0.03
7	A₁	443	410	0.14
8	A₂	798	737	0.00
9	A₂	578	534	0.00
10	B₁	1043	963	31.68
11	B₁	814	753	97.21
12	B₁	547	506	18.76
13	B₂	3390	3133	4.82
14	B₂	3283	3033	10.51
15	B₂	1576	1456	0.19
16	B₂	1480	1368	5.35
17	B₂	1196	1105	0.22
18	B₂	977	903	0.04

Atom	y (Å)	z (Å)
C1	0.000	0.447
H2	0.000	1.528
C3	1.223	-0.197
C4	-1.223	-0.197
H5	2.147	0.352
H6	-2.147	0.352
H7	1.283	-1.273
H8	-1.283	-1.273

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0807	1.3825	1.3825	2.1495	2.1495	2.1464	2.1464
H2	1.0807		2.1149	2.1149	2.4482	2.4482	3.0812	3.0812
C3	1.3825	2.1149		2.4458	1.0756	3.4148	1.0776	2.7271
C4	1.3825	2.1149	2.4458		3.4148	1.0756	2.7271	1.0776
H5	2.1495	2.4482	1.0756	3.4148		4.2948	1.8413	3.7961
H6	2.1495	2.4482	3.4148	1.0756	4.2948		3.7961	1.8413
H7	2.1464	3.0812	1.0776	2.7271	1.8413	3.7961		2.5659
H8	2.1464	3.0812	2.7271	1.0776	3.7961	1.8413	2.5659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.458	C1	C3	H7	120.997
C1	C4	H6	121.458	C1	C4	H8	120.997
H2	C1	C3	117.803	H2	C1	C4	117.803
C3	C1	C4	124.395	H5	C3	H7	117.545
H6	C4	H8	117.545

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

using model chemistry: CID/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: CID/6-31+G**

States and conformations

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