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	hartrees
Energy at 0K	-19.280407
Energy at 298.15K	-19.284764
HF Energy	-19.280407
Nuclear repulsion energy	35.624595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3436	3122	82.23
2	A₁	3357	3050	12.96
3	A₁	3324	3020	23.12
4	A₁	1628	1479	3.52
5	A₁	1340	1218	0.03
6	A₁	1062	964	0.20
7	A₁	450	408	0.01
8	A₂	823	748	0.00
9	A₂	571	519	0.00
10	B₁	1052	956	26.35
11	B₁	855	776	168.45
12	B₁	547	497	19.41
13	B₂	3427	3113	24.77
14	B₂	3322	3018	44.31
15	B₂	1629	1480	0.73
16	B₂	1529	1389	5.28
17	B₂	1290	1172	0.00
18	B₂	999	908	0.27

Atom	y (Å)	z (Å)
C1	0.000	0.465
H2	0.000	1.546
C3	1.251	-0.205
C4	-1.251	-0.205
H5	2.181	0.345
H6	-2.181	0.345
H7	1.307	-1.285
H8	-1.307	-1.285

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0809	1.4195	1.4195	2.1846	2.1846	2.1842	2.1842
H2	1.0809		2.1524	2.1524	2.4901	2.4901	3.1181	3.1181
C3	1.4195	2.1524		2.5022	1.0809	3.4763	1.0811	2.7762
C4	1.4195	2.1524	2.5022		3.4763	1.0809	2.7762	1.0811
H5	2.1846	2.4901	1.0809	3.4763		4.3626	1.8501	3.8500
H6	2.1846	2.4901	3.4763	1.0809	4.3626		3.8500	1.8501
H7	2.1842	3.1181	1.0811	2.7762	1.8501	3.8500		2.6131
H8	2.1842	3.1181	2.7762	1.0811	3.8500	1.8501	2.6131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.193	C1	C3	H7	121.130
C1	C4	H6	121.193	C1	C4	H8	121.130
H2	C1	C3	118.190	H2	C1	C4	118.190
C3	C1	C4	123.621	H5	C3	H7	117.677
H6	C4	H8	117.677

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

using model chemistry: ROHF/CEP-31G

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	0.115
2	H	0.238
3	C	-0.506
4	C	-0.506
5	H	0.150
6	H	0.150
7	H	0.180
8	H	0.180

	x	y	z	Total
	0.000	0.000	0.057	0.057
CHELPG
AIM
ESP

<r²>	44.686
(<r²>)^1/2	6.685

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

using model chemistry: ROHF/CEP-31G

States and conformations

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