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	hartrees
Energy at 0K	-116.946735
Energy at 298.15K	-116.951092
HF Energy	-116.482682
Nuclear repulsion energy	65.248745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3336	3336	8.73
2	A₁	3237	3237	0.19
3	A₁	3230	3230	10.49
4	A₁	1557	1557	2.80
5	A₁	1312	1312	0.87
6	A₁	1071	1071	0.02
7	A₁	432	432	0.17
8	A₂	831	831	0.00
9	A₂	597	597	0.00
10	B₁	1077	1077	15.09
11	B₁	854	854	70.37
12	B₁	567	567	11.72
13	B₂	3333	3333	2.16
14	B₂	3227	3227	4.19
15	B₂	1517	1517	0.19
16	B₂	1436	1436	7.44
17	B₂	1150	1150	1.19
18	B₂	950	950	0.13

Atom	y (Å)	z (Å)
C1	0.000	0.445
H2	0.000	1.530
C3	1.218	-0.196
C4	-1.218	-0.196
H5	2.148	0.354
H6	-2.148	0.354
H7	1.277	-1.276
H8	-1.277	-1.276

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0849	1.3767	1.3767	2.1495	2.1495	2.1433	2.1433
H2	1.0849		2.1126	2.1126	2.4486	2.4486	3.0831	3.0831
C3	1.3767	2.1126		2.4368	1.0796	3.4105	1.0818	2.7193
C4	1.3767	2.1126	2.4368		3.4105	1.0796	2.7193	1.0818
H5	2.1495	2.4486	1.0796	3.4105		4.2951	1.8478	3.7928
H6	2.1495	2.4486	3.4105	1.0796	4.2951		3.7928	1.8478
H7	2.1433	3.0831	1.0818	2.7193	1.8478	3.7928		2.5543
H8	2.1433	3.0831	2.7193	1.0818	3.7928	1.8478	2.5543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.643	C1	C3	H7	120.862
C1	C4	H6	121.643	C1	C4	H8	120.862
H2	C1	C3	117.748	H2	C1	C4	117.748
C3	C1	C4	124.503	H5	C3	H7	117.495
H6	C4	H8	117.495

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

using model chemistry: MP3/6-31G(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: MP3/6-31G(2df,p)

States and conformations

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