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	hartrees
Energy at 0K	-117.009412
Energy at 298.15K	-117.013787
HF Energy	-116.519082
Nuclear repulsion energy	65.537321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3316	3149	6.06
2	A₁	3209	3047	0.64
3	A₁	3204	3043	8.45
4	A₁	1551	1473	3.21
5	A₁	1314	1248	1.67
6	A₁	1070	1016	0.00
7	A₁	434	412	0.25
8	A₂	849	806	0.00
9	A₂	599	569	0.00
10	B₁	1080	1025	22.04
11	B₁	877	833	79.26
12	B₁	563	535	18.81
13	B₂	3315	3148	1.82
14	B₂	3199	3039	6.10
15	B₂	1512	1436	0.90
16	B₂	1429	1357	7.94
17	B₂	1133	1076	0.18
18	B₂	946	899	0.02

Atom	y (Å)	z (Å)
C1	0.000	0.445
H2	0.000	1.527
C3	1.211	-0.196
C4	-1.211	-0.196
H5	2.138	0.353
H6	-2.138	0.353
H7	1.262	-1.274
H8	-1.262	-1.274

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0824	1.3703	1.3703	2.1396	2.1396	2.1322	2.1322
H2	1.0824		2.1064	2.1064	2.4391	2.4391	3.0723	3.0723
C3	1.3703	2.1064		2.4223	1.0767	3.3934	1.0791	2.6974
C4	1.3703	2.1064	2.4223		3.3934	1.0767	2.6974	1.0791
H5	2.1396	2.4391	1.0767	3.3934		4.2752	1.8475	3.7683
H6	2.1396	2.4391	3.3934	1.0767	4.2752		3.7683	1.8475
H7	2.1322	3.0723	1.0791	2.6974	1.8475	3.7683		2.5231
H8	2.1322	3.0723	2.6974	1.0791	3.7683	1.8475	2.5231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.479	C1	C3	H7	120.565
C1	C4	H6	121.479	C1	C4	H8	120.565
H2	C1	C3	117.888	H2	C1	C4	117.888
C3	C1	C4	124.225	H5	C3	H7	117.956
H6	C4	H8	117.956

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

using model chemistry: MP2/aug-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/aug-cc-pVQZ

States and conformations

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