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	hartrees
Energy at 0K	-19.478922
Energy at 298.15K	-19.483148
HF Energy	-19.279046
Nuclear repulsion energy	35.263324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3285	3174	58.32
2	A₁	3182	3075	4.85
3	A₁	3160	3054	26.85
4	A₁	1550	1498	3.72
5	A₁	1296	1253	0.08
6	A₁	1042	1007	0.33
7	A₁	426	412	0.00
8	A₂	731	707	0.00
9	A₂	558	540	0.00
10	B₁	1039	1004	47.03
11	B₁	767	741	151.32
12	B₁	541	523	22.94
13	B₂	3277	3167	17.72
14	B₂	3163	3056	34.67
15	B₂	1527	1476	1.24
16	B₂	1433	1385	6.73
17	B₂	1185	1145	0.01
18	B₂	941	909	0.30

Atom	y (Å)	z (Å)
C1	0.000	0.465
H2	0.000	1.567
C3	1.260	-0.205
C4	-1.260	-0.205
H5	2.206	0.355
H6	-2.206	0.355
H7	1.318	-1.303
H8	-1.318	-1.303

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1019	1.4266	1.4266	2.2084	2.2084	2.2050	2.2050
H2	1.1019		2.1737	2.1737	2.5164	2.5164	3.1579	3.1579
C3	1.4266	2.1737		2.5195	1.0994	3.5104	1.0998	2.8018
C4	1.4266	2.1737	2.5195		3.5104	1.0994	2.8018	1.0998
H5	2.2084	2.5164	1.0994	3.5104		4.4114	1.8812	3.8943
H6	2.2084	2.5164	3.5104	1.0994	4.4114		3.8943	1.8812
H7	2.2050	3.1579	1.0998	2.8018	1.8812	3.8943		2.6356
H8	2.2050	3.1579	2.8018	1.0998	3.8943	1.8812	2.6356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.371	C1	C3	H7	121.019
C1	C4	H6	121.371	C1	C4	H8	121.019
H2	C1	C3	117.991	H2	C1	C4	117.991
C3	C1	C4	124.017	H5	C3	H7	117.610
H6	C4	H8	117.610

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

using model chemistry: MP2/CEP-31G

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/CEP-31G

States and conformations

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