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	hartrees
Energy at 0K	-116.810201
Energy at 298.15K	-116.814526
HF Energy	-116.467787
Nuclear repulsion energy	65.076541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3356	3100	18.38
2	A₁	3264	3015	0.53
3	A₁	3250	3002	16.85
4	A₁	1596	1474	2.34
5	A₁	1332	1230	0.52
6	A₁	1081	999	0.07
7	A₁	444	410	0.07
8	A₂	800	739	0.00
9	A₂	583	538	0.00
10	B₁	1045	965	21.41
11	B₁	817	755	84.31
12	B₁	557	514	12.63
13	B₂	3353	3097	5.86
14	B₂	3254	3005	10.66
15	B₂	1566	1447	0.10
16	B₂	1476	1364	6.35
17	B₂	1197	1106	0.60
18	B₂	976	902	0.11

Atom	y (Å)	z (Å)
C1	0.000	0.446
H2	0.000	1.532
C3	1.222	-0.197
C4	-1.222	-0.197
H5	2.153	0.353
H6	-2.153	0.353
H7	1.286	-1.277
H8	-1.286	-1.277

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0857	1.3813	1.3813	2.1547	2.1547	2.1507	2.1507
H2	1.0857		2.1174	2.1174	2.4543	2.4543	3.0898	3.0898
C3	1.3813	2.1174		2.4450	1.0806	3.4196	1.0824	2.7316
C4	1.3813	2.1174	2.4450		3.4196	1.0806	2.7316	1.0824
H5	2.1547	2.4543	1.0806	3.4196		4.3053	1.8463	3.8059
H6	2.1547	2.4543	3.4196	1.0806	4.3053		3.8059	1.8463
H7	2.1507	3.0898	1.0824	2.7316	1.8463	3.8059		2.5727
H8	2.1507	3.0898	2.7316	1.0824	3.8059	1.8463	2.5727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.660	C1	C3	H7	121.131
C1	C4	H6	121.660	C1	C4	H8	121.131
H2	C1	C3	117.748	H2	C1	C4	117.748
C3	C1	C4	124.504	H5	C3	H7	117.208
H6	C4	H8	117.208

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

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