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	hartrees
Energy at 0K	-116.936972
Energy at 298.15K	-116.941195
HF Energy	-116.498282
Nuclear repulsion energy	64.689098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3269	3269	19.30
2	A₁	3176	3176	1.92
3	A₁	3167	3167	15.28
4	A₁	1537	1537	2.19
5	A₁	1280	1280	0.78
6	A₁	1041	1041	0.01
7	A₁	428	428	0.13
8	A₂	748	748	0.00
9	A₂	551	551	0.00
10	B₁	992	992	27.15
11	B₁	758	758	69.37
12	B₁	524	524	13.73
13	B₂	3266	3266	5.92
14	B₂	3163	3163	8.64
15	B₂	1518	1518	0.42
16	B₂	1425	1425	4.23
17	B₂	1176	1176	0.00
18	B₂	938	938	0.01

Atom	y (Å)	z (Å)
C1	0.000	0.451
H2	0.000	1.541
C3	1.230	-0.199
C4	-1.230	-0.199
H5	2.163	0.355
H6	-2.163	0.355
H7	1.288	-1.285
H8	-1.288	-1.285

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0897	1.3915	1.3915	2.1650	2.1650	2.1612	2.1612
H2	1.0897		2.1308	2.1308	2.4664	2.4664	3.1050	3.1050
C3	1.3915	2.1308		2.4607	1.0850	3.4382	1.0871	2.7421
C4	1.3915	2.1308	2.4607		3.4382	1.0850	2.7421	1.0871
H5	2.1650	2.4664	1.0850	3.4382		4.3258	1.8590	3.8206
H6	2.1650	2.4664	3.4382	1.0850	4.3258		3.8206	1.8590
H7	2.1612	3.1050	1.0871	2.7421	1.8590	3.8206		2.5755
H8	2.1612	3.1050	2.7421	1.0871	3.8206	1.8590	2.5755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.416	C1	C3	H7	120.876
C1	C4	H6	121.416	C1	C4	H8	120.876
H2	C1	C3	117.850	H2	C1	C4	117.850
C3	C1	C4	124.301	H5	C3	H7	117.708
H6	C4	H8	117.708

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

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

States and conformations

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