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	hartrees
Energy at 0K	-116.849928
Energy at 298.15K	-116.854246
HF Energy	-116.478901
Nuclear repulsion energy	64.650993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3346	3085	14.50
2	A₁	3250	2996	2.10
3	A₁	3238	2984	13.03
4	A₁	1562	1440	2.10
5	A₁	1304	1202	0.97
6	A₁	1065	982	0.01
7	A₁	434	401	0.13
8	A₂	797	734	0.00
9	A₂	576	531	0.00
10	B₁	1040	959	19.80
11	B₁	813	749	65.16
12	B₁	549	506	11.95
13	B₂	3343	3082	4.36
14	B₂	3234	2981	8.46
15	B₂	1542	1421	0.09
16	B₂	1446	1333	5.23
17	B₂	1193	1099	0.08
18	B₂	954	879	0.04

Atom	y (Å)	z (Å)
C1	0.000	0.449
H2	0.000	1.542
C3	1.230	-0.198
C4	-1.230	-0.198
H5	2.165	0.361
H6	-2.165	0.361
H7	1.290	-1.288
H8	-1.290	-1.288

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0935	1.3901	1.3901	2.1666	2.1666	2.1636	2.1636
H2	1.0935		2.1315	2.1315	2.4663	2.4663	3.1105	3.1105
C3	1.3901	2.1315		2.4603	1.0890	3.4406	1.0911	2.7459
C4	1.3901	2.1315	2.4603		3.4406	1.0890	2.7459	1.0911
H5	2.1666	2.4663	1.0890	3.4406		4.3295	1.8659	3.8282
H6	2.1666	2.4663	3.4406	1.0890	4.3295		3.8282	1.8659
H7	2.1636	3.1105	1.0911	2.7459	1.8659	3.8282		2.5808
H8	2.1636	3.1105	2.7459	1.0911	3.8282	1.8659	2.5808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.368	C1	C3	H7	120.915
C1	C4	H6	121.368	C1	C4	H8	120.915
H2	C1	C3	117.752	H2	C1	C4	117.752
C3	C1	C4	124.497	H5	C3	H7	117.716
H6	C4	H8	117.716

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

using model chemistry: CISD/cc-pVDZ

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: CISD/cc-pVDZ

States and conformations

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