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	hartrees
Energy at 0K	-115.244830
Energy at 298.15K	-115.248797
HF Energy	-115.051686
Nuclear repulsion energy	63.588952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3517	3517	1.08
2	A₁	3414	3414	0.16
3	A₁	3365	3365	0.00
4	A₁	1637	1637	0.01
5	A₁	1334	1334	0.13
6	A₁	1078	1078	0.02
7	A₁	430	430	0.00
8	A₂	719	719	0.00
9	A₂	595	595	0.00
10	B₁	1040	1040	3.97
11	B₁	721	721	19.05
12	B₁	535	535	2.77
13	B₂	3516	3516	0.11
14	B₂	3360	3360	3.66
15	B₂	1591	1591	2.74
16	B₂	1492	1492	0.08
17	B₂	1123	1123	1.97
18	B₂	979	979	0.09

Atom	y (Å)	z (Å)
C1	0.000	0.460
H2	0.000	1.569
C3	1.251	-0.203
C4	-1.251	-0.203
H5	2.202	0.359
H6	-2.202	0.359
H7	1.313	-1.307
H8	-1.313	-1.307

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1089	1.4152	1.4152	2.2043	2.2043	2.2008	2.2008
H2	1.1089		2.1684	2.1684	2.5123	2.5123	3.1608	3.1608
C3	1.4152	2.1684		2.5011	1.1049	3.4979	1.1056	2.7910
C4	1.4152	2.1684	2.5011		3.4979	1.1049	2.7910	1.1056
H5	2.2043	2.5123	1.1049	3.4979		4.4039	1.8881	3.8895
H6	2.2043	2.5123	3.4979	1.1049	4.4039		3.8895	1.8881
H7	2.2008	3.1608	1.1056	2.7910	1.8881	3.8895		2.6257
H8	2.2008	3.1608	2.7910	1.1056	3.8895	1.8881	2.6257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.523	C1	C3	H7	121.143
C1	C4	H6	121.523	C1	C4	H8	121.143
H2	C1	C3	117.913	H2	C1	C4	117.913
C3	C1	C4	124.175	H5	C3	H7	117.334
H6	C4	H8	117.334

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

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

States and conformations

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