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	hartrees
Energy at 0K	-116.996868
Energy at 298.15K	-117.001142
HF Energy	-116.482818
Nuclear repulsion energy	64.966927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3299	3299
2	A₁	3203	3203
3	A₁	3194	3194
4	A₁	1538	1538
5	A₁	1285	1285
6	A₁	1048	1048
7	A₁	425	425
8	A₂	781	781
9	A₂	568	568
10	B₁	1025	1025
11	B₁	800	800
12	B₁	541	541
13	B₂	3296	3296
14	B₂	3195	3195
15	B₂	1518	1518
16	B₂	1431	1431
17	B₂	1205	1205
18	B₂	946	946

Atom	y (Å)	z (Å)
C1	0.000	0.448
H2	0.000	1.534
C3	1.225	-0.197
C4	-1.225	-0.197
H5	2.156	0.353
H6	-2.156	0.353
H7	1.284	-1.279
H8	-1.284	-1.279

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0863	1.3847	1.3847	2.1579	2.1579	2.1518	2.1518
H2	1.0863		2.1212	2.1212	2.4583	2.4583	3.0922	3.0922
C3	1.3847	2.1212		2.4504	1.0811	3.4255	1.0831	2.7322
C4	1.3847	2.1212	2.4504		3.4255	1.0811	2.7322	1.0831
H5	2.1579	2.4583	1.0811	3.4255		4.3116	1.8501	3.8070
H6	2.1579	2.4583	3.4255	1.0811	4.3116		3.8070	1.8501
H7	2.1518	3.0922	1.0831	2.7322	1.8501	3.8070		2.5676
H8	2.1518	3.0922	2.7322	1.0831	3.8070	1.8501	2.5676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.634	C1	C3	H7	120.876
C1	C4	H6	121.634	C1	C4	H8	120.876
H2	C1	C3	117.776	H2	C1	C4	117.776
C3	C1	C4	124.449	H5	C3	H7	117.490
H6	C4	H8	117.490

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

using model chemistry: CCSD(T)=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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