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	hartrees
Energy at 0K	-116.107294
Energy at 298.15K	-116.111522
HF Energy	-115.821673
Nuclear repulsion energy	64.292635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3204	3204
2	A₁	3113	3113
3	A₁	3102	3102
4	A₁	1559	1559
5	A₁	1284	1284
6	A₁	1034	1034
7	A₁	444	444
8	A₂	755	755
9	A₂	546	546
10	B₁	981	981
11	B₁	766	766
12	B₁	523	523
13	B₂	3200	3200
14	B₂	3107	3107
15	B₂	1532	1532
16	B₂	1459	1459
17	B₂	1171	1171
18	B₂	972	972

Atom	y (Å)	z (Å)
C1	0.000	0.454
H2	0.000	1.548
C3	1.239	-0.200
C4	-1.239	-0.200
H5	2.178	0.353
H6	-2.178	0.353
H7	1.302	-1.289
H8	-1.302	-1.289

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0943	1.4009	1.4009	2.1802	2.1802	2.1758	2.1758
H2	1.0943		2.1424	2.1424	2.4841	2.4841	3.1220	3.1220
C3	1.4009	2.1424		2.4785	1.0892	3.4615	1.0916	2.7652
C4	1.4009	2.1424	2.4785		3.4615	1.0892	2.7652	1.0916
H5	2.1802	2.4841	1.0892	3.4615		4.3557	1.8613	3.8482
H6	2.1802	2.4841	3.4615	1.0892	4.3557		3.8482	1.8613
H7	2.1758	3.1220	1.0916	2.7652	1.8613	3.8482		2.6044
H8	2.1758	3.1220	2.7652	1.0916	3.8482	1.8613	2.6044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.711	C1	C3	H7	121.103
C1	C4	H6	121.711	C1	C4	H8	121.103
H2	C1	C3	117.797	H2	C1	C4	117.797
C3	C1	C4	124.405	H5	C3	H7	117.185
H6	C4	H8	117.185

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

using model chemistry: QCISD(TQ)/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: QCISD(TQ)/3-21G*

States and conformations

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