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	hartrees
Energy at 0K	-116.874366
Energy at 298.15K	-116.878694
HF Energy	-116.481206
Nuclear repulsion energy	65.246938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3370	3165	11.81
2	A₁	3260	3062	0.16
3	A₁	3252	3055	14.56
4	A₁	1585	1489	2.78
5	A₁	1328	1247	1.07
6	A₁	1080	1015	0.06
7	A₁	441	414	0.13
8	A₂	800	751	0.00
9	A₂	584	548	0.00
10	B₁	1054	990	33.95
11	B₁	816	767	100.83
12	B₁	550	516	20.43
13	B₂	3368	3163	3.16
14	B₂	3252	3054	9.12
15	B₂	1551	1456	0.48
16	B₂	1455	1366	6.97
17	B₂	1168	1097	0.22
18	B₂	967	908	0.10

Atom	y (Å)	z (Å)
C1	0.000	0.447
H2	0.000	1.530
C3	1.219	-0.197
C4	-1.219	-0.197
H5	2.146	0.352
H6	-2.146	0.352
H7	1.275	-1.275
H8	-1.275	-1.275

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0834	1.3782	1.3782	2.1483	2.1483	2.1427	2.1427
H2	1.0834		2.1137	2.1137	2.4483	2.4483	3.0816	3.0816
C3	1.3782	2.1137		2.4375	1.0776	3.4094	1.0799	2.7172
C4	1.3782	2.1137	2.4375		3.4094	1.0776	2.7172	1.0799
H5	2.1483	2.4483	1.0776	3.4094		4.2924	1.8456	3.7887
H6	2.1483	2.4483	3.4094	1.0776	4.2924		3.7887	1.8456
H7	2.1427	3.0816	1.0799	2.7172	1.8456	3.7887		2.5507
H8	2.1427	3.0816	2.7172	1.0799	3.7887	1.8456	2.5507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.555	C1	C3	H7	120.836
C1	C4	H6	121.555	C1	C4	H8	120.836
H2	C1	C3	117.833	H2	C1	C4	117.833
C3	C1	C4	124.334	H5	C3	H7	117.609
H6	C4	H8	117.609

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

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

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/6-31+G**

States and conformations

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