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	hartrees
Energy at 0K	-116.672150
Energy at 298.15K	-116.676375
HF Energy	-116.439342
Nuclear repulsion energy	64.044077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3042	42.72
2	A₁	3196	2953	4.00
3	A₁	3174	2933	22.66
4	A₁	1562	1444	4.97
5	A₁	1293	1195	0.06
6	A₁	1047	967	0.45
7	A₁	433	400	0.00
8	A₂	747	690	0.00
9	A₂	555	513	0.00
10	B₁	1003	927	39.41
11	B₁	764	706	112.14
12	B₁	534	493	21.23
13	B₂	3284	3035	10.07
14	B₂	3170	2929	21.69
15	B₂	1537	1420	2.54
16	B₂	1454	1344	6.59
17	B₂	1178	1088	0.04
18	B₂	954	881	0.68

Atom	y (Å)	z (Å)
C1	0.000	0.451
H2	0.000	1.546
C3	1.248	-0.200
C4	-1.248	-0.200
H5	2.183	0.361
H6	-2.183	0.361
H7	1.318	-1.289
H8	-1.318	-1.289

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0942	1.4079	1.4079	2.1844	2.1844	2.1835	2.1835
H2	1.0942		2.1459	2.1459	2.4831	2.4831	3.1264	3.1264
C3	1.4079	2.1459		2.4964	1.0899	3.4764	1.0918	2.7880
C4	1.4079	2.1459	2.4964		3.4764	1.0899	2.7880	1.0918
H5	2.1844	2.4831	1.0899	3.4764		4.3651	1.8634	3.8703
H6	2.1844	2.4831	3.4764	1.0899	4.3651		3.8703	1.8634
H7	2.1835	3.1264	1.0918	2.7880	1.8634	3.8703		2.6362
H8	2.1835	3.1264	2.7880	1.0918	3.8703	1.8634	2.6362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.453	C1	C3	H7	121.223
C1	C4	H6	121.453	C1	C4	H8	121.223
H2	C1	C3	117.554	H2	C1	C4	117.554
C3	C1	C4	124.891	H5	C3	H7	117.324
H6	C4	H8	117.324

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

using model chemistry: CID/SDD

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/SDD

States and conformations

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