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	hartrees
Energy at 0K	-116.709985
Energy at 298.15K	-116.714025
HF Energy	-116.437316
Nuclear repulsion energy	63.447883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3201	3052
2	A₁	3098	2955
3	A₁	3082	2939
4	A₁	1519	1449
5	A₁	1249	1191
6	A₁	1008	962
7	A₁	416	396
8	A₂	671	640
9	A₂	512	488
10	B₁	932	888
11	B₁	673	642
12	B₁	495	472
13	B₂	3193	3045
14	B₂	3080	2938
15	B₂	1501	1432
16	B₂	1416	1350
17	B₂	1171	1117
18	B₂	922	880

Atom	y (Å)	z (Å)
C1	0.000	0.457
H2	0.000	1.560
C3	1.261	-0.202
C4	-1.261	-0.202
H5	2.202	0.362
H6	-2.202	0.362
H7	1.328	-1.300
H8	-1.328	-1.300

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1024	1.4229	1.4229	2.2043	2.2043	2.2025	2.2025
H2	1.1024		2.1667	2.1667	2.5071	2.5071	3.1530	3.1530
C3	1.4229	2.1667		2.5213	1.0976	3.5085	1.0996	2.8115
C4	1.4229	2.1667	2.5213		3.5085	1.0976	2.8115	1.0996
H5	2.2043	2.5071	1.0976	3.5085		4.4045	1.8777	3.9015
H6	2.2043	2.5071	3.5085	1.0976	4.4045		3.9015	1.8777
H7	2.2025	3.1530	1.0996	2.8115	1.8777	3.9015		2.6556
H8	2.2025	3.1530	2.8115	1.0996	3.9015	1.8777	2.6556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.453	C1	C3	H7	121.123
C1	C4	H6	121.453	C1	C4	H8	121.123
H2	C1	C3	117.624	H2	C1	C4	117.624
C3	C1	C4	124.752	H5	C3	H7	117.424
H6	C4	H8	117.424

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

using model chemistry: QCISD(T)/LANL2DZ

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)/LANL2DZ

States and conformations

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