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	hartrees
Energy at 0K	-116.712739
Energy at 298.15K	-116.716934
HF Energy	-116.427574
Nuclear repulsion energy	64.000579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3207	3058
2	A₁	3111	2967
3	A₁	3095	2951
4	A₁	1544	1473
5	A₁	1281	1222
6	A₁	1036	988
7	A₁	432	412
8	A₂	748	713
9	A₂	534	509
10	B₁	969	924
11	B₁	758	722
12	B₁	517	493
13	B₂	3203	3054
14	B₂	3104	2961
15	B₂	1524	1453
16	B₂	1450	1383
17	B₂	1202	1147
18	B₂	955	911

Atom	y (Å)	z (Å)
C1	0.000	0.454
H2	0.000	1.552
C3	1.246	-0.200
C4	-1.246	-0.200
H5	2.188	0.355
H6	-2.188	0.355
H7	1.315	-1.293
H8	-1.315	-1.293

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0985	1.4074	1.4074	2.1899	2.1899	2.1863	2.1863
H2	1.0985		2.1501	2.1501	2.4937	2.4937	3.1343	3.1343
C3	1.4074	2.1501		2.4929	1.0928	3.4788	1.0954	2.7849
C4	1.4074	2.1501	2.4929		3.4788	1.0928	2.7849	1.0954
H5	2.1899	2.4937	1.0928	3.4788		4.3754	1.8652	3.8711
H6	2.1899	2.4937	3.4788	1.0928	4.3754		3.8711	1.8652
H7	2.1863	3.1343	1.0954	2.7849	1.8652	3.8711		2.6298
H8	2.1863	3.1343	2.7849	1.0954	3.8711	1.8652	2.6298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.804	C1	C3	H7	121.246
C1	C4	H6	121.804	C1	C4	H8	121.246
H2	C1	C3	117.665	H2	C1	C4	117.665
C3	C1	C4	124.671	H5	C3	H7	116.950
H6	C4	H8	116.950

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

using model chemistry: QCISD(T)/6-31G

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: QCISD(T)/6-31G

States and conformations

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