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	hartrees
Energy at 0K	-19.531451
Energy at 298.15K	-19.535627
HF Energy	-19.287314
Nuclear repulsion energy	35.534439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	2974	43.13
2	A₁	3136	2891	5.89
3	A₁	3111	2868	20.20
4	A₁	1546	1426	2.74
5	A₁	1279	1179	0.26
6	A₁	1033	952	0.14
7	A₁	431	397	0.01
8	A₂	705	650	0.00
9	A₂	537	495	0.00
10	B₁	959	884	44.87
11	B₁	700	646	98.30
12	B₁	518	477	12.00
13	B₂	3221	2969	12.32
14	B₂	3107	2864	18.99
15	B₂	1526	1407	1.46
16	B₂	1435	1323	4.54
17	B₂	1174	1082	0.00
18	B₂	951	877	0.23

Atom	y (Å)	z (Å)
C1	0.000	0.458
H2	0.000	1.552
C3	1.251	-0.202
C4	-1.251	-0.202
H5	2.188	0.355
H6	-2.188	0.355
H7	1.315	-1.293
H8	-1.315	-1.293

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0941	1.4146	1.4146	2.1908	2.1908	2.1895	2.1895
H2	1.0941		2.1545	2.1545	2.4942	2.4942	3.1339	3.1339
C3	1.4146	2.1545		2.5028	1.0902	3.4846	1.0926	2.7887
C4	1.4146	2.1545	2.5028		3.4846	1.0902	2.7887	1.0926
H5	2.1908	2.4942	1.0902	3.4846		4.3768	1.8650	3.8718
H6	2.1908	2.4942	3.4846	1.0902	4.3768		3.8718	1.8650
H7	2.1895	3.1339	1.0926	2.7887	1.8650	3.8718		2.6303
H8	2.1895	3.1339	2.7887	1.0926	3.8718	1.8650	2.6303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.465	C1	C3	H7	121.145
C1	C4	H6	121.465	C1	C4	H8	121.145
H2	C1	C3	117.798	H2	C1	C4	117.798
C3	C1	C4	124.403	H5	C3	H7	117.389
H6	C4	H8	117.389

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

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

States and conformations

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