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	hartrees
Energy at 0K	-116.716094
Energy at 298.15K	-116.720294
HF Energy	-116.427625
Nuclear repulsion energy	64.021458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3208	3208
2	A₁	3112	3112
3	A₁	3095	3095
4	A₁	1545	1545
5	A₁	1282	1282
6	A₁	1037	1037
7	A₁	432	432
8	A₂	751	751
9	A₂	535	535
10	B₁	970	970
11	B₁	761	761
12	B₁	518	518
13	B₂	3203	3203
14	B₂	3105	3105
15	B₂	1524	1524
16	B₂	1450	1450
17	B₂	1201	1201
18	B₂	956	956

Atom	y (Å)	z (Å)
C1	0.000	0.453
H2	0.000	1.552
C3	1.246	-0.200
C4	-1.246	-0.200
H5	2.187	0.355
H6	-2.187	0.355
H7	1.315	-1.293
H8	-1.315	-1.293

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0983	1.4068	1.4068	2.1893	2.1893	2.1857	2.1857
H2	1.0983		2.1494	2.1494	2.4931	2.4931	3.1336	3.1336
C3	1.4068	2.1494		2.4919	1.0926	3.4776	1.0952	2.7840
C4	1.4068	2.1494	2.4919		3.4776	1.0926	2.7840	1.0952
H5	2.1893	2.4931	1.0926	3.4776		4.3743	1.8648	3.8701
H6	2.1893	2.4931	3.4776	1.0926	4.3743		3.8701	1.8648
H7	2.1857	3.1336	1.0952	2.7840	1.8648	3.8701		2.6290
H8	2.1857	3.1336	2.7840	1.0952	3.8701	1.8648	2.6290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.812	C1	C3	H7	121.255
C1	C4	H6	121.812	C1	C4	H8	121.255
H2	C1	C3	117.665	H2	C1	C4	117.665
C3	C1	C4	124.670	H5	C3	H7	116.934
H6	C4	H8	116.934

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/6-31G

States and conformations

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