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	hartrees
Energy at 0K	-116.949031
Energy at 298.15K	-116.953409
HF Energy	-116.511589
Nuclear repulsion energy	65.423903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3352	3105	11.69
2	A₁	3258	3019	1.31
3	A₁	3248	3010	11.16
4	A₁	1584	1467	3.22
5	A₁	1322	1225	0.91
6	A₁	1075	996	0.01
7	A₁	439	407	0.20
8	A₂	834	772	0.00
9	A₂	590	547	0.00
10	B₁	1063	985	22.50
11	B₁	855	792	79.20
12	B₁	561	520	15.23
13	B₂	3349	3103	3.49
14	B₂	3244	3006	7.85
15	B₂	1556	1442	0.43
16	B₂	1466	1358	6.97
17	B₂	1175	1088	0.40
18	B₂	966	895	0.03

Atom	y (Å)	z (Å)
C1	0.000	0.445
H2	0.000	1.523
C3	1.217	-0.196
C4	-1.217	-0.196
H5	2.139	0.353
H6	-2.139	0.353
H7	1.274	-1.270
H8	-1.274	-1.270

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0781	1.3753	1.3753	2.1407	2.1407	2.1366	2.1366
H2	1.0781		2.1063	2.1063	2.4377	2.4377	3.0702	3.0702
C3	1.3753	2.1063		2.4334	1.0735	3.4002	1.0755	2.7124
C4	1.3753	2.1063	2.4334		3.4002	1.0735	2.7124	1.0755
H5	2.1407	2.4377	1.0735	3.4002		4.2775	1.8396	3.7793
H6	2.1407	2.4377	3.4002	1.0735	4.2775		3.7793	1.8396
H7	2.1366	3.0702	1.0755	2.7124	1.8396	3.7793		2.5480
H8	2.1366	3.0702	2.7124	1.0755	3.7793	1.8396	2.5480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.409	C1	C3	H7	120.845
C1	C4	H6	121.409	C1	C4	H8	120.845
H2	C1	C3	117.792	H2	C1	C4	117.792
C3	C1	C4	124.417	H5	C3	H7	117.746
H6	C4	H8	117.746

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

using model chemistry: CID/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/cc-pVTZ

States and conformations

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