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	hartrees
Energy at 0K	-116.111206
Energy at 298.15K	-116.115451
HF Energy	-115.821711
Nuclear repulsion energy	64.315894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3205	3205
2	A₁	3113	3113
3	A₁	3102	3102
4	A₁	1560	1560
5	A₁	1285	1285
6	A₁	1036	1036
7	A₁	445	445
8	A₂	760	760
9	A₂	548	548
10	B₁	986	986
11	B₁	772	772
12	B₁	525	525
13	B₂	3200	3200
14	B₂	3107	3107
15	B₂	1532	1532
16	B₂	1459	1459
17	B₂	1168	1168
18	B₂	973	973

Atom	y (Å)	z (Å)
C1	0.000	0.453
H2	0.000	1.548
C3	1.239	-0.200
C4	-1.239	-0.200
H5	2.177	0.353
H6	-2.177	0.353
H7	1.302	-1.289
H8	-1.302	-1.289

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0943	1.4002	1.4002	2.1795	2.1795	2.1751	2.1751
H2	1.0943		2.1416	2.1416	2.4833	2.4833	3.1213	3.1213
C3	1.4002	2.1416		2.4774	1.0892	3.4603	1.0915	2.7644
C4	1.4002	2.1416	2.4774		3.4603	1.0892	2.7644	1.0915
H5	2.1795	2.4833	1.0892	3.4603		4.3544	1.8611	3.8473
H6	2.1795	2.4833	3.4603	1.0892	4.3544		3.8473	1.8611
H7	2.1751	3.1213	1.0915	2.7644	1.8611	3.8473		2.6038
H8	2.1751	3.1213	2.7644	1.0915	3.8473	1.8611	2.6038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.721	C1	C3	H7	121.107
C1	C4	H6	121.721	C1	C4	H8	121.107
H2	C1	C3	117.788	H2	C1	C4	117.788
C3	C1	C4	124.425	H5	C3	H7	117.172
H6	C4	H8	117.172

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

using model chemistry: CCSD(T)=FULL/3-21G

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/3-21G

States and conformations

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