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	hartrees
Energy at 0K	-19.802811
Energy at 298.15K	-19.806942
HF Energy	-19.802811
Nuclear repulsion energy	35.602503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3141	3124	41.08
2	A₁	3046	3029	7.71
3	A₁	3034	3017	22.95
4	A₁	1478	1469	2.13
5	A₁	1221	1214	0.91
6	A₁	992	987	0.02
7	A₁	411	409	0.02
8	A₂	737	733	0.00
9	A₂	530	527	0.00
10	B₁	972	966	21.82
11	B₁	764	760	87.33
12	B₁	508	505	18.34
13	B₂	3138	3121	11.66
14	B₂	3040	3023	17.41
15	B₂	1470	1462	1.04
16	B₂	1373	1366	3.06
17	B₂	1162	1155	0.56
18	B₂	905	900	0.01

Atom	y (Å)	z (Å)
C1	0.000	0.450
H2	0.000	1.549
C3	1.247	-0.199
C4	-1.247	-0.199
H5	2.185	0.365
H6	-2.185	0.365
H7	1.317	-1.293
H8	-1.317	-1.293

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0998	1.4057	1.4057	2.1864	2.1864	2.1842	2.1842
H2	1.0998		2.1477	2.1477	2.4852	2.4852	3.1327	3.1327
C3	1.4057	2.1477		2.4942	1.0941	3.4778	1.0962	2.7876
C4	1.4057	2.1477	2.4942		3.4778	1.0941	2.7876	1.0962
H5	2.1864	2.4852	1.0941	3.4778		4.3694	1.8714	3.8742
H6	2.1864	2.4852	3.4778	1.0941	4.3694		3.8742	1.8714
H7	2.1842	3.1327	1.0962	2.7876	1.8714	3.8742		2.6336
H8	2.1842	3.1327	2.7876	1.0962	3.8742	1.8714	2.6336

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.496	C1	C3	H7	121.125
C1	C4	H6	121.496	C1	C4	H8	121.125
H2	C1	C3	117.480	H2	C1	C4	117.480
C3	C1	C4	125.041	H5	C3	H7	117.379
H6	C4	H8	117.379

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

using model chemistry: BLYP/CEP-121G*

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	0.187
2	H	0.142
3	C	-0.462
4	C	-0.462
5	H	0.146
6	H	0.146
7	H	0.152
8	H	0.152

	x	y	z	Total
	0.000	0.000	0.088	0.088
CHELPG
AIM
ESP

<r²>	44.709
(<r²>)^1/2	6.686

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

using model chemistry: BLYP/CEP-121G*

States and conformations

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