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	hartrees
Energy at 0K	-117.005901
Energy at 298.15K	-117.010275
HF Energy	-116.518781
Nuclear repulsion energy	65.552942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3319	3148	6.35
2	A₁	3212	3046	0.44
3	A₁	3207	3042	9.19
4	A₁	1553	1473	3.46
5	A₁	1315	1247	1.53
6	A₁	1071	1015	0.01
7	A₁	434	412	0.25
8	A₂	847	803	0.00
9	A₂	599	568	0.00
10	B₁	1078	1022	21.31
11	B₁	872	827	78.43
12	B₁	564	535	17.57
13	B₂	3317	3146	1.83
14	B₂	3203	3037	6.03
15	B₂	1514	1436	0.84
16	B₂	1427	1354	8.43
17	B₂	1133	1075	0.29
18	B₂	947	898	0.05

Atom	y (Å)	z (Å)
C1	0.000	0.444
H2	0.000	1.526
C3	1.211	-0.196
C4	-1.211	-0.196
H5	2.137	0.353
H6	-2.137	0.353
H7	1.262	-1.274
H8	-1.262	-1.274

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0821	1.3699	1.3699	2.1389	2.1389	2.1317	2.1317
H2	1.0821		2.1056	2.1056	2.4381	2.4381	3.0713	3.0713
C3	1.3699	2.1056		2.4221	1.0763	3.3927	1.0787	2.6977
C4	1.3699	2.1056	2.4221		3.3927	1.0763	2.6977	1.0787
H5	2.1389	2.4381	1.0763	3.3927		4.2740	1.8467	3.7681
H6	2.1389	2.4381	3.3927	1.0763	4.2740		3.7681	1.8467
H7	2.1317	3.0713	1.0787	2.6977	1.8467	3.7681		2.5241
H8	2.1317	3.0713	2.6977	1.0787	3.7681	1.8467	2.5241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.477	C1	C3	H7	120.579
C1	C4	H6	121.477	C1	C4	H8	120.579
H2	C1	C3	117.869	H2	C1	C4	117.869
C3	C1	C4	124.261	H5	C3	H7	117.945
H6	C4	H8	117.945

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

using model chemistry: MP2/cc-pVQZ

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/cc-pVQZ

States and conformations

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