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	hartrees
Energy at 0K	-116.427006
Energy at 298.15K	-116.431341
HF Energy	-116.344090
Nuclear repulsion energy	64.893678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3282	3125	17.70
2	A₁	3186	3033	2.78
3	A₁	3177	3024	11.58
4	A₁	1579	1503	2.67
5	A₁	1313	1250	0.23
6	A₁	1066	1015	0.28
7	A₁	452	430	0.00
8	A₂	802	763	0.00
9	A₂	568	541	0.00
10	B₁	1037	988	21.31
11	B₁	827	787	98.36
12	B₁	546	520	16.03
13	B₂	3278	3120	5.25
14	B₂	3180	3027	7.79
15	B₂	1549	1475	1.64
16	B₂	1482	1411	4.96
17	B₂	1204	1146	0.00
18	B₂	986	939	0.26

Atom	y (Å)	z (Å)
C1	0.000	0.447
H2	0.000	1.534
C3	1.228	-0.197
C4	-1.228	-0.197
H5	2.157	0.357
H6	-2.157	0.357
H7	1.291	-1.280
H8	-1.291	-1.280

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0868	1.3866	1.3866	2.1593	2.1593	2.1555	2.1555
H2	1.0868		2.1223	2.1223	2.4576	2.4576	3.0951	3.0951
C3	1.3866	2.1223		2.4557	1.0821	3.4303	1.0839	2.7411
C4	1.3866	2.1223	2.4557		3.4303	1.0821	2.7411	1.0839
H5	2.1593	2.4576	1.0821	3.4303		4.3149	1.8516	3.8165
H6	2.1593	2.4576	3.4303	1.0821	4.3149		3.8165	1.8516
H7	2.1555	3.0951	1.0839	2.7411	1.8516	3.8165		2.5811
H8	2.1555	3.0951	2.7411	1.0839	3.8165	1.8516	2.5811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.519	C1	C3	H7	121.002
C1	C4	H6	121.519	C1	C4	H8	121.002
H2	C1	C3	117.687	H2	C1	C4	117.687
C3	C1	C4	124.626	H5	C3	H7	117.479
H6	C4	H8	117.479

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

using model chemistry: B2PLYP=FULL/3-21G

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: B2PLYP=FULL/3-21G

States and conformations

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