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	hartrees
Energy at 0K	-19.556749
Energy at 298.15K	-19.560872
HF Energy	-19.286626
Nuclear repulsion energy	35.439897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3168	3168
2	A₁	3068	3068
3	A₁	3049	3049
4	A₁	1521	1521
5	A₁	1266	1266
6	A₁	1025	1025
7	A₁	423	423
8	A₂	683	683
9	A₂	533	533
10	B₁	954	954
11	B₁	668	668
12	B₁	512	512
13	B₂	3163	3163
14	B₂	3047	3047
15	B₂	1494	1494
16	B₂	1404	1404
17	B₂	1131	1131
18	B₂	933	933

Atom	y (Å)	z (Å)
C1	0.000	0.458
H2	0.000	1.559
C3	1.253	-0.202
C4	-1.253	-0.202
H5	2.195	0.357
H6	-2.195	0.357
H7	1.315	-1.299
H8	-1.315	-1.299

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1006	1.4159	1.4159	2.1973	2.1973	2.1947	2.1947
H2	1.1006		2.1608	2.1608	2.5024	2.5024	3.1457	3.1457
C3	1.4159	2.1608		2.5051	1.0956	3.4925	1.0986	2.7923
C4	1.4159	2.1608	2.5051		3.4925	1.0956	2.7923	1.0986
H5	2.1973	2.5024	1.0956	3.4925		4.3899	1.8748	3.8811
H6	2.1973	2.5024	3.4925	1.0956	4.3899		3.8811	1.8748
H7	2.1947	3.1457	1.0986	2.7923	1.8748	3.8811		2.6306
H8	2.1947	3.1457	2.7923	1.0986	3.8811	1.8748	2.6306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.537	C1	C3	H7	121.064
C1	C4	H6	121.537	C1	C4	H8	121.064
H2	C1	C3	117.790	H2	C1	C4	117.790
C3	C1	C4	124.420	H5	C3	H7	117.399
H6	C4	H8	117.399

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

using model chemistry: MP4=FULL/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: MP4=FULL/CEP-121G

States and conformations

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