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	hartrees
Energy at 0K	-19.562115
Energy at 298.15K	-19.566161
HF Energy	-19.286237
Nuclear repulsion energy	35.306081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3149	3149	43.70
2	A₁	3058	3058	7.79
3	A₁	3034	3034	18.79
4	A₁	1512	1512	2.40
5	A₁	1246	1246	0.25
6	A₁	1006	1006	0.13
7	A₁	420	420	0.01
8	A₂	658	658	0.00
9	A₂	507	507	0.00
10	B₁	909	909	45.91
11	B₁	642	642	89.91
12	B₁	490	490	8.80
13	B₂	3143	3143	12.96
14	B₂	3032	3032	17.27
15	B₂	1493	1493	1.75
16	B₂	1402	1402	2.98
17	B₂	1153	1153	0.14
18	B₂	928	928	0.17

Atom	y (Å)	z (Å)
C1	0.000	0.462
H2	0.000	1.563
C3	1.259	-0.204
C4	-1.259	-0.204
H5	2.203	0.356
H6	-2.203	0.356
H7	1.322	-1.301
H8	-1.322	-1.301

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1007	1.4244	1.4244	2.2053	2.2053	2.2037	2.2037
H2	1.1007		2.1693	2.1693	2.5118	2.5118	3.1543	3.1543
C3	1.4244	2.1693		2.5186	1.0967	3.5069	1.0993	2.8049
C4	1.4244	2.1693	2.5186		3.5069	1.0967	2.8049	1.0993
H5	2.2053	2.5118	1.0967	3.5069		4.4054	1.8762	3.8946
H6	2.2053	2.5118	3.5069	1.0967	4.4054		3.8946	1.8762
H7	2.2037	3.1543	1.0993	2.8049	1.8762	3.8946		2.6439
H8	2.2037	3.1543	2.8049	1.0993	3.8946	1.8762	2.6439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.484	C1	C3	H7	121.128
C1	C4	H6	121.484	C1	C4	H8	121.128
H2	C1	C3	117.860	H2	C1	C4	117.860
C3	C1	C4	124.280	H5	C3	H7	117.388
H6	C4	H8	117.388

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

using model chemistry: CCSD=FULL/CEP-121G

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=FULL/CEP-121G

States and conformations

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