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	hartrees
Energy at 0K	-116.865430
Energy at 298.15K	-116.869777
HF Energy	-116.476554
Nuclear repulsion energy	65.339962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3376	3154	14.22
2	A₁	3267	3053	0.32
3	A₁	3258	3044	15.19
4	A₁	1595	1490	1.98
5	A₁	1333	1246	0.82
6	A₁	1085	1014	0.02
7	A₁	440	411	0.14
8	A₂	806	753	0.00
9	A₂	595	556	0.00
10	B₁	1067	997	20.40
11	B₁	822	768	76.03
12	B₁	563	526	11.17
13	B₂	3374	3153	4.17
14	B₂	3259	3045	8.33
15	B₂	1557	1455	0.05
16	B₂	1459	1363	6.29
17	B₂	1169	1092	0.68
18	B₂	968	905	0.08

Atom	y (Å)	z (Å)
C1	0.000	0.446
H2	0.000	1.529
C3	1.217	-0.196
C4	-1.217	-0.196
H5	2.145	0.350
H6	-2.145	0.350
H7	1.273	-1.274
H8	-1.273	-1.274

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0829	1.3756	1.3756	2.1470	2.1470	2.1398	2.1398
H2	1.0829		2.1108	2.1108	2.4475	2.4475	3.0783	3.0783
C3	1.3756	2.1108		2.4331	1.0770	3.4055	1.0792	2.7130
C4	1.3756	2.1108	2.4331		3.4055	1.0770	2.7130	1.0792
H5	2.1470	2.4475	1.0770	3.4055		4.2897	1.8430	3.7842
H6	2.1470	2.4475	3.4055	1.0770	4.2897		3.7842	1.8430
H7	2.1398	3.0783	1.0792	2.7130	1.8430	3.7842		2.5465
H8	2.1398	3.0783	2.7130	1.0792	3.7842	1.8430	2.5465

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.709	C1	C3	H7	120.833
C1	C4	H6	121.709	C1	C4	H8	120.833
H2	C1	C3	117.822	H2	C1	C4	117.822
C3	C1	C4	124.355	H5	C3	H7	117.458
H6	C4	H8	117.458

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

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