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	hartrees
Energy at 0K	-19.511899
Energy at 298.15K	-19.516085
HF Energy	-19.287286
Nuclear repulsion energy	35.580474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3233	3155	36.72
2	A₁	3131	3056	7.87
3	A₁	3109	3034	17.26
4	A₁	1546	1509	3.13
5	A₁	1285	1254	0.32
6	A₁	1041	1016	0.18
7	A₁	432	422	0.01
8	A₂	701	684	0.00
9	A₂	547	533	0.00
10	B₁	979	955	51.25
11	B₁	690	674	106.61
12	B₁	525	513	10.67
13	B₂	3228	3150	10.14
14	B₂	3106	3031	19.53
15	B₂	1519	1483	1.68
16	B₂	1426	1392	5.76
17	B₂	1142	1115	0.10
18	B₂	952	929	0.34

Atom	y (Å)	z (Å)
C1	0.000	0.456
H2	0.000	1.552
C3	1.248	-0.201
C4	-1.248	-0.201
H5	2.186	0.355
H6	-2.186	0.355
H7	1.311	-1.293
H8	-1.311	-1.293

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0953	1.4111	1.4111	2.1885	2.1885	2.1860	2.1860
H2	1.0953		2.1521	2.1521	2.4920	2.4920	3.1321	3.1321
C3	1.4111	2.1521		2.4970	1.0906	3.4795	1.0933	2.7828
C4	1.4111	2.1521	2.4970		3.4795	1.0906	2.7828	1.0933
H5	2.1885	2.4920	1.0906	3.4795		4.3724	1.8660	3.8664
H6	2.1885	2.4920	3.4795	1.0906	4.3724		3.8664	1.8660
H7	2.1860	3.1321	1.0933	2.7828	1.8660	3.8664		2.6226
H8	2.1860	3.1321	2.7828	1.0933	3.8664	1.8660	2.6226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.525	C1	C3	H7	121.071
C1	C4	H6	121.525	C1	C4	H8	121.071
H2	C1	C3	117.776	H2	C1	C4	117.776
C3	C1	C4	124.448	H5	C3	H7	117.404
H6	C4	H8	117.404

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

using model chemistry: MP2/CEP-121G

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-121G

States and conformations

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