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	hartrees
Energy at 0K	-116.912078
Energy at 298.15K	-116.916314
HF Energy	-116.476798
Nuclear repulsion energy	64.769619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3316	3145
2	A₁	3217	3051
3	A₁	3208	3043
4	A₁	1568	1487
5	A₁	1296	1229
6	A₁	1051	997
7	A₁	430	408
8	A₂	754	716
9	A₂	562	533
10	B₁	1000	949
11	B₁	757	718
12	B₁	531	504
13	B₂	3313	3142
14	B₂	3208	3043
15	B₂	1550	1470
16	B₂	1449	1374
17	B₂	1204	1142
18	B₂	955	906

Atom	y (Å)	z (Å)
C1	0.000	0.452
H2	0.000	1.538
C3	1.230	-0.199
C4	-1.230	-0.199
H5	2.162	0.349
H6	-2.162	0.349
H7	1.286	-1.281
H8	-1.286	-1.281

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0865	1.3912	1.3912	2.1640	2.1640	2.1577	2.1577
H2	1.0865		2.1284	2.1284	2.4671	2.4671	3.0987	3.0987
C3	1.3912	2.1284		2.4590	1.0812	3.4350	1.0834	2.7382
C4	1.3912	2.1284	2.4590		3.4350	1.0812	2.7382	1.0834
H5	2.1640	2.4671	1.0812	3.4350		4.3230	1.8503	3.8133
H6	2.1640	2.4671	3.4350	1.0812	4.3230		3.8133	1.8503
H7	2.1577	3.0987	1.0834	2.7382	1.8503	3.8133		2.5717
H8	2.1577	3.0987	2.7382	1.0834	3.8133	1.8503	2.5717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.647	C1	C3	H7	120.874
C1	C4	H6	121.647	C1	C4	H8	120.874
H2	C1	C3	117.895	H2	C1	C4	117.895
C3	C1	C4	124.210	H5	C3	H7	117.478
H6	C4	H8	117.478

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

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

States and conformations

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