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	hartrees
Energy at 0K	-19.570219
Energy at 298.15K	-19.574221
HF Energy	-19.285931
Nuclear repulsion energy	35.257794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3136	2991
2	A₁	3040	2900
3	A₁	3020	2880
4	A₁	1506	1436
5	A₁	1240	1182
6	A₁	999	953
7	A₁	417	398
8	A₂	640	610
9	A₂	501	478
10	B₁	896	854
11	B₁	614	586
12	B₁	482	460
13	B₂	3130	2985
14	B₂	3018	2878
15	B₂	1488	1420
16	B₂	1396	1331
17	B₂	1155	1102
18	B₂	925	882

Atom	y (Å)	z (Å)
C1	0.000	0.463
H2	0.000	1.566
C3	1.261	-0.204
C4	-1.261	-0.204
H5	2.206	0.355
H6	-2.206	0.355
H7	1.322	-1.303
H8	-1.322	-1.303

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1024	1.4268	1.4268	2.2084	2.2084	2.2062	2.2062
H2	1.1024		2.1732	2.1732	2.5161	2.5161	3.1587	3.1587
C3	1.4268	2.1732		2.5222	1.0978	3.5116	1.1006	2.8070
C4	1.4268	2.1732	2.5222		3.5116	1.0978	2.8070	1.1006
H5	2.2084	2.5161	1.0978	3.5116		4.4115	1.8790	3.8979
H6	2.2084	2.5161	3.5116	1.0978	4.4115		3.8979	1.8790
H7	2.2062	3.1587	1.1006	2.8070	1.8790	3.8979		2.6437
H8	2.2062	3.1587	2.8070	1.1006	3.8979	1.8790	2.6437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.484	C1	C3	H7	121.059
C1	C4	H6	121.484	C1	C4	H8	121.059
H2	C1	C3	117.893	H2	C1	C4	117.893
C3	C1	C4	124.215	H5	C3	H7	117.457
H6	C4	H8	117.457

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

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

States and conformations

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