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	hartrees
Energy at 0K	-19.533944
Energy at 298.15K	-19.537993
HF Energy	-19.277136
Nuclear repulsion energy	34.949415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3189	3189
2	A₁	3095	3095
3	A₁	3074	3074
4	A₁	1508	1508
5	A₁	1250	1250
6	A₁	1001	1001
7	A₁	410	410
8	A₂	664	664
9	A₂	513	513
10	B₁	956	956
11	B₁	691	691
12	B₁	499	499
13	B₂	3181	3181
14	B₂	3078	3078
15	B₂	1494	1494
16	B₂	1399	1399
17	B₂	1179	1179
18	B₂	910	910

Atom	y (Å)	z (Å)
C1	0.000	0.471
H2	0.000	1.580
C3	1.272	-0.208
C4	-1.272	-0.208
H5	2.225	0.356
H6	-2.225	0.356
H7	1.329	-1.314
H8	-1.329	-1.314

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1088	1.4420	1.4420	2.2277	2.2277	2.2248	2.2248
H2	1.1088		2.1941	2.1941	2.5390	2.5390	3.1838	3.1838
C3	1.4420	2.1941		2.5447	1.1069	3.5424	1.1073	2.8263
C4	1.4420	2.1941	2.5447		3.5424	1.1069	2.8263	1.1073
H5	2.2277	2.5390	1.1069	3.5424		4.4496	1.8952	3.9262
H6	2.2277	2.5390	3.5424	1.1069	4.4496		3.9262	1.8952
H7	2.2248	3.1838	1.1073	2.8263	1.8952	3.9262		2.6571
H8	2.2248	3.1838	2.8263	1.1073	3.9262	1.8952	2.6571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.292	C1	C3	H7	120.982
C1	C4	H6	121.292	C1	C4	H8	120.982
H2	C1	C3	118.073	H2	C1	C4	118.073
C3	C1	C4	123.853	H5	C3	H7	117.725
H6	C4	H8	117.725

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

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

States and conformations

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