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	hartrees
Energy at 0K	-19.742457
Energy at 298.15K	-19.746531
HF Energy	-19.332952
Nuclear repulsion energy	35.705767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3229	3046
2	A₁	3135	2956
3	A₁	3123	2946
4	A₁	1524	1437
5	A₁	1261	1189
6	A₁	1020	962
7	A₁	423	398
8	A₂	666	628
9	A₂	528	498
10	B₁	946	892
11	B₁	659	622
12	B₁	507	478
13	B₂	3227	3043
14	B₂	3120	2942
15	B₂	1506	1421
16	B₂	1403	1323
17	B₂	1159	1093
18	B₂	928	876

Atom	y (Å)	z (Å)
C1	0.000	0.458
H2	0.000	1.552
C3	1.241	-0.202
C4	-1.241	-0.202
H5	2.179	0.353
H6	-2.179	0.353
H7	1.296	-1.292
H8	-1.296	-1.292

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0945	1.4050	1.4050	2.1814	2.1814	2.1774	2.1774
H2	1.0945		2.1482	2.1482	2.4872	2.4872	3.1254	3.1254
C3	1.4050	2.1482		2.4817	1.0895	3.4644	1.0917	2.7616
C4	1.4050	2.1482	2.4817		3.4644	1.0895	2.7616	1.0917
H5	2.1814	2.4872	1.0895	3.4644		4.3578	1.8661	3.8447
H6	2.1814	2.4872	3.4644	1.0895	4.3578		3.8447	1.8661
H7	2.1774	3.1254	1.0917	2.7616	1.8661	3.8447		2.5929
H8	2.1774	3.1254	2.7616	1.0917	3.8447	1.8661	2.5929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.454	C1	C3	H7	120.895
C1	C4	H6	121.454	C1	C4	H8	120.895
H2	C1	C3	117.975	H2	C1	C4	117.975
C3	C1	C4	124.049	H5	C3	H7	117.652
H6	C4	H8	117.652

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

using model chemistry: CCSD(T)/CEP-121G*

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)/CEP-121G*

States and conformations

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