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	hartrees
Energy at 0K	-116.912798
Energy at 298.15K	-116.917055
HF Energy	-116.476889
Nuclear repulsion energy	64.928526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3334	3334	21.34
2	A₁	3236	3236	0.01
3	A₁	3226	3226	19.17
4	A₁	1578	1578	1.39
5	A₁	1306	1306	0.65
6	A₁	1061	1061	0.00
7	A₁	433	433	0.14
8	A₂	765	765	0.00
9	A₂	562	562	0.00
10	B₁	1011	1011	19.86
11	B₁	775	775	66.25
12	B₁	536	536	10.17
13	B₂	3332	3332	6.87
14	B₂	3226	3226	10.30
15	B₂	1559	1559	0.02
16	B₂	1458	1458	2.86
17	B₂	1203	1203	0.05
18	B₂	959	959	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.450
H2	0.000	1.534
C3	1.227	-0.198
C4	-1.227	-0.198
H5	2.156	0.350
H6	-2.156	0.350
H7	1.285	-1.278
H8	-1.285	-1.278

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0841	1.3874	1.3874	2.1586	2.1586	2.1529	2.1529
H2	1.0841		2.1227	2.1227	2.4602	2.4602	3.0914	3.0914
C3	1.3874	2.1227		2.4532	1.0790	3.4269	1.0810	2.7333
C4	1.3874	2.1227	2.4532		3.4269	1.0790	2.7333	1.0810
H5	2.1586	2.4602	1.0790	3.4269		4.3124	1.8459	3.8061
H6	2.1586	2.4602	3.4269	1.0790	4.3124		3.8061	1.8459
H7	2.1529	3.0914	1.0810	2.7333	1.8459	3.8061		2.5691
H8	2.1529	3.0914	2.7333	1.0810	3.8061	1.8459	2.5691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.638	C1	C3	H7	120.930
C1	C4	H6	121.638	C1	C4	H8	120.930
H2	C1	C3	117.856	H2	C1	C4	117.856
C3	C1	C4	124.288	H5	C3	H7	117.432
H6	C4	H8	117.432

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

using model chemistry: CCSD=FULL/6-31G**

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=FULL/6-31G**

States and conformations

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