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	hartrees
Energy at 0K	-19.526996
Energy at 298.15K	-19.531196
HF Energy	-19.287355
Nuclear repulsion energy	35.570538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	2986	40.94
2	A₁	3141	2902	5.41
3	A₁	3116	2879	19.58
4	A₁	1549	1431	2.96
5	A₁	1283	1185	0.25
6	A₁	1037	958	0.16
7	A₁	433	400	0.01
8	A₂	716	662	0.00
9	A₂	544	502	0.00
10	B₁	969	895	45.31
11	B₁	714	660	101.49
12	B₁	524	484	12.56
13	B₂	3226	2981	11.54
14	B₂	3112	2875	18.62
15	B₂	1525	1409	1.43
16	B₂	1436	1327	5.48
17	B₂	1161	1073	0.07
18	B₂	953	881	0.28

Atom	y (Å)	z (Å)
C1	0.000	0.457
H2	0.000	1.551
C3	1.249	-0.202
C4	-1.249	-0.202
H5	2.186	0.356
H6	-2.186	0.356
H7	1.314	-1.292
H8	-1.314	-1.292

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0941	1.4123	1.4123	2.1887	2.1887	2.1875	2.1875
H2	1.0941		2.1523	2.1523	2.4918	2.4918	3.1320	3.1320
C3	1.4123	2.1523		2.4989	1.0900	3.4807	1.0925	2.7857
C4	1.4123	2.1523	2.4989		3.4807	1.0900	2.7857	1.0925
H5	2.1887	2.4918	1.0900	3.4807		4.3727	1.8644	3.8687
H6	2.1887	2.4918	3.4807	1.0900	4.3727		3.8687	1.8644
H7	2.1875	3.1320	1.0925	2.7857	1.8644	3.8687		2.6277
H8	2.1875	3.1320	2.7857	1.0925	3.8687	1.8644	2.6277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.477	C1	C3	H7	121.166
C1	C4	H6	121.477	C1	C4	H8	121.166
H2	C1	C3	117.786	H2	C1	C4	117.786
C3	C1	C4	124.428	H5	C3	H7	117.357
H6	C4	H8	117.357

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

using model chemistry: CID/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: CID/CEP-121G

States and conformations

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