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	hartrees
Energy at 0K	-116.106929
Energy at 298.15K	-116.111170
HF Energy	-115.821664
Nuclear repulsion energy	64.293447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3204	3056
2	A₁	3112	2968
3	A₁	3101	2958
4	A₁	1559	1487
5	A₁	1284	1225
6	A₁	1035	987
7	A₁	444	424
8	A₂	757	722
9	A₂	548	522
10	B₁	985	939
11	B₁	769	733
12	B₁	525	500
13	B₂	3199	3051
14	B₂	3106	2962
15	B₂	1532	1461
16	B₂	1459	1391
17	B₂	1169	1115
18	B₂	972	927

Atom	y (Å)	z (Å)
C1	0.000	0.453
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	-1.290
H8	-1.302	-1.290

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0945	1.4008	1.4008	2.1802	2.1802	2.1757	2.1757
H2	1.0945		2.1423	2.1423	2.4840	2.4840	3.1220	3.1220
C3	1.4008	2.1423		2.4785	1.0893	3.4615	1.0917	2.7654
C4	1.4008	2.1423	2.4785		3.4615	1.0893	2.7654	1.0917
H5	2.1802	2.4840	1.0893	3.4615		4.3557	1.8615	3.8484
H6	2.1802	2.4840	3.4615	1.0893	4.3557		3.8484	1.8615
H7	2.1757	3.1220	1.0917	2.7654	1.8615	3.8484		2.6046
H8	2.1757	3.1220	2.7654	1.0917	3.8484	1.8615	2.6046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.715	C1	C3	H7	121.100
C1	C4	H6	121.715	C1	C4	H8	121.100
H2	C1	C3	117.788	H2	C1	C4	117.788
C3	C1	C4	124.425	H5	C3	H7	117.185
H6	C4	H8	117.185

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

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

States and conformations

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