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	hartrees
Energy at 0K	-19.719383
Energy at 298.15K	-19.723583
HF Energy	-19.333144
Nuclear repulsion energy	35.887901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3263	3077	22.97
2	A₁	3167	2987	4.61
3	A₁	3156	2976	14.65
4	A₁	1544	1456	3.05
5	A₁	1289	1216	0.62
6	A₁	1045	986	0.11
7	A₁	432	407	0.06
8	A₂	723	682	0.00
9	A₂	559	527	0.00
10	B₁	1000	943	40.26
11	B₁	730	688	98.13
12	B₁	535	505	17.54
13	B₂	3260	3075	6.64
14	B₂	3151	2972	13.20
15	B₂	1511	1425	0.70
16	B₂	1414	1334	6.70
17	B₂	1123	1059	0.19
18	B₂	940	886	0.15

Atom	y (Å)	z (Å)
C1	0.000	0.453
H2	0.000	1.545
C3	1.233	-0.200
C4	-1.233	-0.200
H5	2.168	0.355
H6	-2.168	0.355
H7	1.292	-1.287
H8	-1.292	-1.287

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0923	1.3946	1.3946	2.1705	2.1705	2.1669	2.1669
H2	1.0923		2.1361	2.1361	2.4736	2.4736	3.1128	3.1128
C3	1.3946	2.1361		2.4655	1.0873	3.4459	1.0893	2.7488
C4	1.3946	2.1361	2.4655		3.4459	1.0873	2.7488	1.0893
H5	2.1705	2.4736	1.0873	3.4459		4.3366	1.8613	3.8297
H6	2.1705	2.4736	3.4459	1.0873	4.3366		3.8297	1.8613
H7	2.1669	3.1128	1.0893	2.7488	1.8613	3.8297		2.5832
H8	2.1669	3.1128	2.7488	1.0893	3.8297	1.8613	2.5832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.486	C1	C3	H7	120.974
C1	C4	H6	121.486	C1	C4	H8	120.974
H2	C1	C3	117.878	H2	C1	C4	117.878
C3	C1	C4	124.244	H5	C3	H7	117.540
H6	C4	H8	117.540

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

using model chemistry: CCD/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: CCD/CEP-121G*

States and conformations

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