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	hartrees
Energy at 0K	-116.910100
Energy at 298.15K	-116.914468
HF Energy	-116.482515
Nuclear repulsion energy	65.364845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3344	3158	6.53
2	A₁	3238	3058	0.02
3	A₁	3231	3052	9.40
4	A₁	1555	1469	3.00
5	A₁	1315	1242	1.02
6	A₁	1074	1014	0.03
7	A₁	431	407	0.14
8	A₂	836	789	0.00
9	A₂	603	569	0.00
10	B₁	1089	1028	14.89
11	B₁	861	813	71.14
12	B₁	571	539	12.20
13	B₂	3342	3156	1.48
14	B₂	3229	3050	3.81
15	B₂	1513	1429	0.33
16	B₂	1429	1350	8.21
17	B₂	1150	1086	0.95
18	B₂	949	896	0.20

Atom	y (Å)	z (Å)
C1	0.000	0.444
H2	0.000	1.529
C3	1.215	-0.196
C4	-1.215	-0.196
H5	2.145	0.353
H6	-2.145	0.353
H7	1.272	-1.276
H8	-1.272	-1.276

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0853	1.3732	1.3732	2.1469	2.1469	2.1391	2.1391
H2	1.0853		2.1099	2.1099	2.4464	2.4464	3.0800	3.0800
C3	1.3732	2.1099		2.4305	1.0794	3.4046	1.0817	2.7117
C4	1.3732	2.1099	2.4305		3.4046	1.0794	2.7117	1.0817
H5	2.1469	2.4464	1.0794	3.4046		4.2899	1.8479	3.7852
H6	2.1469	2.4464	3.4046	1.0794	4.2899		3.7852	1.8479
H7	2.1391	3.0800	1.0817	2.7117	1.8479	3.7852		2.5440
H8	2.1391	3.0800	2.7117	1.0817	3.7852	1.8479	2.5440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.708	C1	C3	H7	120.765
C1	C4	H6	121.708	C1	C4	H8	120.765
H2	C1	C3	117.758	H2	C1	C4	117.758
C3	C1	C4	124.485	H5	C3	H7	117.527
H6	C4	H8	117.527

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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