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	hartrees
Energy at 0K	-115.181311
Energy at 298.15K	-115.185430
HF Energy	-115.053240
Nuclear repulsion energy	64.246442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3643	3177	0.50
2	A₁	3525	3074	0.00
3	A₁	3477	3032	0.07
4	A₁	1687	1471	0.00
5	A₁	1375	1199	0.16
6	A₁	1112	970	0.01
7	A₁	445	388	0.00
8	A₂	770	671	0.00
9	A₂	640	558	0.00
10	B₁	1113	971	4.76
11	B₁	775	676	22.85
12	B₁	574	500	3.40
13	B₂	3642	3176	0.01
14	B₂	3471	3026	8.96
15	B₂	1640	1430	2.33
16	B₂	1535	1338	0.61
17	B₂	1157	1009	2.15
18	B₂	1010	881	0.14

Atom	y (Å)	z (Å)
C1	0.000	0.454
H2	0.000	1.555
C3	1.237	-0.200
C4	-1.237	-0.200
H5	2.181	0.356
H6	-2.181	0.356
H7	1.299	-1.295
H8	-1.299	-1.295

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1005	1.3991	1.3991	2.1830	2.1830	2.1788	2.1788
H2	1.1005		2.1467	2.1467	2.4882	2.4882	3.1317	3.1317
C3	1.3991	2.1467		2.4736	1.0958	3.4626	1.0965	2.7624
C4	1.3991	2.1467	2.4736		3.4626	1.0958	2.7624	1.0965
H5	2.1830	2.4882	1.0958	3.4626		4.3616	1.8718	3.8521
H6	2.1830	2.4882	3.4626	1.0958	4.3616		3.8521	1.8718
H7	2.1788	3.1317	1.0965	2.7624	1.8718	3.8521		2.5988
H8	2.1788	3.1317	2.7624	1.0965	3.8521	1.8718	2.5988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.605	C1	C3	H7	121.146
C1	C4	H6	121.605	C1	C4	H8	121.146
H2	C1	C3	117.874	H2	C1	C4	117.874
C3	C1	C4	124.253	H5	C3	H7	117.249
H6	C4	H8	117.249

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

using model chemistry: MP2/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: MP2/STO-3G

States and conformations

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