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	hartrees
Energy at 0K	-116.954806
Energy at 298.15K	-116.959164
HF Energy	-116.512522
Nuclear repulsion energy	65.410483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3348	3348	10.16
2	A₁	3254	3254	0.71
3	A₁	3245	3245	10.49
4	A₁	1580	1580	2.88
5	A₁	1320	1320	1.11
6	A₁	1073	1073	0.00
7	A₁	437	437	0.23
8	A₂	829	829	0.00
9	A₂	578	578	0.00
10	B₁	1050	1050	24.09
11	B₁	852	852	77.24
12	B₁	553	553	16.70
13	B₂	3345	3345	3.23
14	B₂	3241	3241	7.49
15	B₂	1553	1553	0.54
16	B₂	1463	1463	6.13
17	B₂	1175	1175	0.23
18	B₂	962	962	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.444
H2	0.000	1.523
C3	1.217	-0.196
C4	-1.217	-0.196
H5	2.139	0.354
H6	-2.139	0.354
H7	1.275	-1.271
H8	-1.275	-1.271

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0785	1.3755	1.3755	2.1408	2.1408	2.1373	2.1373
H2	1.0785		2.1065	2.1065	2.4372	2.4372	3.0709	3.0709
C3	1.3755	2.1065		2.4341	1.0738	3.4008	1.0759	2.7141
C4	1.3755	2.1065	2.4341		3.4008	1.0738	2.7141	1.0759
H5	2.1408	2.4372	1.0738	3.4008		4.2777	1.8403	3.7812
H6	2.1408	2.4372	3.4008	1.0738	4.2777		3.7812	1.8403
H7	2.1373	3.0709	1.0759	2.7141	1.8403	3.7812		2.5507
H8	2.1373	3.0709	2.7141	1.0759	3.7812	1.8403	2.5507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.375	C1	C3	H7	120.870
C1	C4	H6	121.375	C1	C4	H8	120.870
H2	C1	C3	117.767	H2	C1	C4	117.767
C3	C1	C4	124.467	H5	C3	H7	117.755
H6	C4	H8	117.755

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

using model chemistry: CID/aug-cc-pVTZ

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: CID/aug-cc-pVTZ

States and conformations

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