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	hartrees
Energy at 0K	-116.498692
Energy at 298.15K	-116.503033
HF Energy	-116.498692
Nuclear repulsion energy	64.945876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3377	3068	29.12
2	A₁	3292	2991	5.42
3	A₁	3279	2979	16.10
4	A₁	1622	1473	2.61
5	A₁	1328	1206	0.38
6	A₁	1065	968	0.04
7	A₁	451	410	0.10
8	A₂	787	715	0.00
9	A₂	572	520	0.00
10	B₁	1031	937	25.15
11	B₁	806	732	81.26
12	B₁	546	496	14.84
13	B₂	3373	3064	9.22
14	B₂	3275	2975	17.65
15	B₂	1613	1466	0.33
16	B₂	1519	1380	4.29
17	B₂	1233	1120	0.13
18	B₂	995	904	0.02

Atom	y (Å)	z (Å)
C1	0.000	0.448
H2	0.000	1.526
C3	1.230	-0.198
C4	-1.230	-0.198
H5	2.151	0.355
H6	-2.151	0.355
H7	1.295	-1.273
H8	-1.295	-1.273

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0785	1.3892	1.3892	2.1529	2.1529	2.1532	2.1532
H2	1.0785		2.1182	2.1182	2.4491	2.4491	3.0839	3.0839
C3	1.3892	2.1182		2.4595	1.0746	3.4257	1.0764	2.7434
C4	1.3892	2.1182	2.4595		3.4257	1.0746	2.7434	1.0764
H5	2.1529	2.4491	1.0746	3.4257		4.3018	1.8394	3.8107
H6	2.1529	2.4491	3.4257	1.0746	4.3018		3.8107	1.8394
H7	2.1532	3.0839	1.0764	2.7434	1.8394	3.8107		2.5891
H8	2.1532	3.0839	2.7434	1.0764	3.8107	1.8394	2.5891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.284	C1	C3	H7	121.168
C1	C4	H6	121.284	C1	C4	H8	121.168
H2	C1	C3	117.718	H2	C1	C4	117.718
C3	C1	C4	124.564	H5	C3	H7	117.549
H6	C4	H8	117.549

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

using model chemistry: HF/6-311G**

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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Number	Element	Mulliken
1	C	-0.177
2	H	0.098
3	C	-0.179
4	C	-0.179
5	H	0.113
6	H	0.113
7	H	0.106
8	H	0.106

	x	y	z	Total
	0.000	0.000	0.037	0.037
CHELPG
AIM
ESP

<r²>	50.289
(<r²>)^1/2	7.091

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

using model chemistry: HF/6-311G**

States and conformations

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