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	hartrees
Energy at 0K	-116.694428
Energy at 298.15K	-116.698606
HF Energy	-116.438140
Nuclear repulsion energy	63.812180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3231	3047	42.03
2	A₁	3132	2953	5.45
3	A₁	3113	2936	20.87
4	A₁	1537	1449	4.80
5	A₁	1276	1203	0.07
6	A₁	1035	976	0.47
7	A₁	426	402	0.00
8	A₂	729	688	0.00
9	A₂	548	517	0.00
10	B₁	990	933	40.27
11	B₁	743	700	107.25
12	B₁	528	498	21.20
13	B₂	3223	3039	9.89
14	B₂	3111	2934	20.69
15	B₂	1508	1422	2.70
16	B₂	1428	1347	6.15
17	B₂	1150	1085	0.04
18	B₂	936	882	0.67

Atom	y (Å)	z (Å)
C1	0.000	0.452
H2	0.000	1.553
C3	1.252	-0.200
C4	-1.252	-0.200
H5	2.191	0.364
H6	-2.191	0.364
H7	1.323	-1.296
H8	-1.323	-1.296

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1003	1.4117	1.4117	2.1932	2.1932	2.1920	2.1920
H2	1.1003		2.1539	2.1539	2.4931	2.4931	3.1404	3.1404
C3	1.4117	2.1539		2.5038	1.0958	3.4892	1.0978	2.7981
C4	1.4117	2.1539	2.5038		3.4892	1.0958	2.7981	1.0978
H5	2.1932	2.4931	1.0958	3.4892		4.3829	1.8731	3.8864
H6	2.1932	2.4931	3.4892	1.0958	4.3829		3.8864	1.8731
H7	2.1920	3.1404	1.0978	2.7981	1.8731	3.8864		2.6456
H8	2.1920	3.1404	2.7981	1.0978	3.8864	1.8731	2.6456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.498	C1	C3	H7	121.229
C1	C4	H6	121.498	C1	C4	H8	121.229
H2	C1	C3	117.525	H2	C1	C4	117.525
C3	C1	C4	124.949	H5	C3	H7	117.273
H6	C4	H8	117.273

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

using model chemistry: CCD/LANL2DZ

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: CCD/LANL2DZ

States and conformations

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