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	hartrees
Energy at 0K	-115.223442
Energy at 298.15K	-115.227508
HF Energy	-115.052863
Nuclear repulsion energy	63.981011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3592	3592	0.71
2	A₁	3488	3488	0.05
3	A₁	3440	3440	0.01
4	A₁	1671	1671	0.00
5	A₁	1363	1363	0.15
6	A₁	1102	1102	0.02
7	A₁	440	440	0.00
8	A₂	751	751	0.00
9	A₂	620	620	0.00
10	B₁	1081	1081	4.21
11	B₁	755	755	20.43
12	B₁	557	557	2.97
13	B₂	3591	3591	0.05
14	B₂	3430	3430	5.67
15	B₂	1624	1624	2.51
16	B₂	1525	1525	0.21
17	B₂	1165	1165	1.81
18	B₂	1001	1001	0.07

Atom	y (Å)	z (Å)
C1	0.000	0.456
H2	0.000	1.559
C3	1.243	-0.201
C4	-1.243	-0.201
H5	2.189	0.358
H6	-2.189	0.358
H7	1.306	-1.299
H8	-1.306	-1.299

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1032	1.4057	1.4057	2.1913	2.1913	2.1878	2.1878
H2	1.1032		2.1548	2.1548	2.4970	2.4970	3.1427	3.1427
C3	1.4057	2.1548		2.4854	1.0992	3.4770	1.0999	2.7753
C4	1.4057	2.1548	2.4854		3.4770	1.0992	2.7753	1.0999
H5	2.1913	2.4970	1.0992	3.4770		4.3781	1.8776	3.8681
H6	2.1913	2.4970	3.4770	1.0992	4.3781		3.8681	1.8776
H7	2.1878	3.1427	1.0999	2.7753	1.8776	3.8681		2.6123
H8	2.1878	3.1427	2.7753	1.0999	3.8681	1.8776	2.6123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.559	C1	C3	H7	121.177
C1	C4	H6	121.559	C1	C4	H8	121.177
H2	C1	C3	117.869	H2	C1	C4	117.869
C3	C1	C4	124.261	H5	C3	H7	117.264
H6	C4	H8	117.264

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

using model chemistry: CISD/STO-3G

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/STO-3G

States and conformations

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