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	hartrees
Energy at 0K	-116.956304
Energy at 298.15K	-116.960525
HF Energy	-116.489178
Nuclear repulsion energy	64.703085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3256	3256	21.43
2	A₁	3163	3163	1.11
3	A₁	3155	3155	17.43
4	A₁	1540	1540	3.32
5	A₁	1288	1288	0.62
6	A₁	1046	1046	0.15
7	A₁	433	433	0.04
8	A₂	747	747	0.00
9	A₂	549	549	0.00
10	B₁	986	986	30.31
11	B₁	761	761	84.56
12	B₁	528	528	17.81
13	B₂	3253	3253	6.53
14	B₂	3152	3152	9.93
15	B₂	1524	1524	0.86
16	B₂	1434	1434	6.68
17	B₂	1183	1183	0.00
18	B₂	949	949	0.12

Atom	y (Å)	z (Å)
C1	0.000	0.449
H2	0.000	1.540
C3	1.230	-0.198
C4	-1.230	-0.198
H5	2.163	0.356
H6	-2.163	0.356
H7	1.293	-1.284
H8	-1.293	-1.284

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0909	1.3902	1.3902	2.1655	2.1655	2.1626	2.1626
H2	1.0909		2.1297	2.1297	2.4665	2.4665	3.1063	3.1063
C3	1.3902	2.1297		2.4602	1.0854	3.4385	1.0876	2.7470
C4	1.3902	2.1297	2.4602		3.4385	1.0854	2.7470	1.0876
H5	2.1655	2.4665	1.0854	3.4385		4.3270	1.8563	3.8259
H6	2.1655	2.4665	3.4385	1.0854	4.3270		3.8259	1.8563
H7	2.1626	3.1063	1.0876	2.7470	1.8563	3.8259		2.5865
H8	2.1626	3.1063	2.7470	1.0876	3.8259	1.8563	2.5865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.544	C1	C3	H7	121.093
C1	C4	H6	121.544	C1	C4	H8	121.093
H2	C1	C3	117.765	H2	C1	C4	117.765
C3	C1	C4	124.470	H5	C3	H7	117.363
H6	C4	H8	117.363

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

using model chemistry: CCSD=FULL/6-311G*

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/6-311G*

States and conformations

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