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	hartrees
Energy at 0K	-19.701032
Energy at 298.15K	-19.705127
HF Energy	-19.320600
Nuclear repulsion energy	35.344252

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3241	3057
2	A₁	3155	2976
3	A₁	3135	2957
4	A₁	1522	1436
5	A₁	1270	1198
6	A₁	1019	961
7	A₁	414	390
8	A₂	679	640
9	A₂	529	499
10	B₁	988	931
11	B₁	714	673
12	B₁	515	486
13	B₂	3234	3050
14	B₂	3136	2957
15	B₂	1517	1430
16	B₂	1400	1320
17	B₂	1190	1123
18	B₂	906	854

Atom	y (Å)	z (Å)
C1	0.000	0.468
H2	0.000	1.569
C3	1.253	-0.206
C4	-1.253	-0.206
H5	2.201	0.352
H6	-2.201	0.352
H7	1.300	-1.305
H8	-1.300	-1.305

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1015	1.4225	1.4225	2.2042	2.2042	2.1985	2.1985
H2	1.1015		2.1728	2.1728	2.5155	2.5155	3.1547	3.1547
C3	1.4225	2.1728		2.5058	1.1000	3.4988	1.1003	2.7796
C4	1.4225	2.1728	2.5058		3.4988	1.1000	2.7796	1.1003
H5	2.2042	2.5155	1.1000	3.4988		4.4023	1.8860	3.8734
H6	2.2042	2.5155	3.4988	1.1000	4.4023		3.8734	1.8860
H7	2.1985	3.1547	1.1003	2.7796	1.8860	3.8734		2.6001
H8	2.1985	3.1547	2.7796	1.1003	3.8734	1.8860	2.6001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.282	C1	C3	H7	120.721
C1	C4	H6	121.282	C1	C4	H8	120.721
H2	C1	C3	118.265	H2	C1	C4	118.265
C3	C1	C4	123.470	H5	C3	H7	117.997
H6	C4	H8	117.997

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

using model chemistry: CCSD(T)/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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All results from a given calculation for C3H5 (Allyl radical)

using model chemistry: CCSD(T)/CEP-31G*

States and conformations

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