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	hartrees
Energy at 0K	-116.658224
Energy at 298.15K	-116.662445
HF Energy	-116.438850
Nuclear repulsion energy	64.026118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3103	36.13
2	A₁	3182	3000	6.24
3	A₁	3163	2982	19.29
4	A₁	1559	1470	5.28
5	A₁	1294	1220	0.07
6	A₁	1050	990	0.55
7	A₁	431	407	0.00
8	A₂	740	697	0.00
9	A₂	559	527	0.00
10	B₁	1017	958	45.16
11	B₁	753	710	117.96
12	B₁	539	508	23.06
13	B₂	3284	3096	7.94
14	B₂	3161	2980	21.65
15	B₂	1530	1442	3.02
16	B₂	1446	1363	6.67
17	B₂	1158	1092	0.05
18	B₂	949	895	0.81

Atom	y (Å)	z (Å)
C1	0.000	0.451
H2	0.000	1.547
C3	1.248	-0.200
C4	-1.248	-0.200
H5	2.184	0.362
H6	-2.184	0.362
H7	1.317	-1.291
H8	-1.317	-1.291

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0963	1.4076	1.4076	2.1857	2.1857	2.1833	2.1833
H2	1.0963		2.1471	2.1471	2.4849	2.4849	3.1285	3.1285
C3	1.4076	2.1471		2.4964	1.0912	3.4777	1.0931	2.7872
C4	1.4076	2.1471	2.4964		3.4777	1.0912	2.7872	1.0931
H5	2.1857	2.4849	1.0912	3.4777		4.3677	1.8662	3.8709
H6	2.1857	2.4849	3.4777	1.0912	4.3677		3.8709	1.8662
H7	2.1833	3.1285	1.0931	2.7872	1.8662	3.8709		2.6332
H8	2.1833	3.1285	2.7872	1.0931	3.8709	1.8662	2.6332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.501	C1	C3	H7	121.121
C1	C4	H6	121.501	C1	C4	H8	121.121
H2	C1	C3	117.533	H2	C1	C4	117.533
C3	C1	C4	124.935	H5	C3	H7	117.378
H6	C4	H8	117.378

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

using model chemistry: MP2=FULL/LANL2DZ

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: MP2=FULL/LANL2DZ

States and conformations

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