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	hartrees
Energy at 0K	-19.528206
Energy at 298.15K	-19.532285
HF Energy	-19.277472
Nuclear repulsion energy	34.988942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3200	3200	73.78
2	A₁	3110	3110	4.93
3	A₁	3087	3087	30.21
4	A₁	1513	1513	2.78
5	A₁	1255	1255	0.06
6	A₁	1006	1006	0.22
7	A₁	412	412	0.00
8	A₂	679	679	0.00
9	A₂	518	518	0.00
10	B₁	966	966	43.95
11	B₁	708	708	128.55
12	B₁	504	504	20.51
13	B₂	3192	3192	23.24
14	B₂	3090	3090	33.39
15	B₂	1499	1499	1.33
16	B₂	1404	1404	3.54
17	B₂	1180	1180	0.18
18	B₂	914	914	0.16

Atom	y (Å)	z (Å)
C1	0.000	0.470
H2	0.000	1.577
C3	1.271	-0.207
C4	-1.271	-0.207
H5	2.222	0.357
H6	-2.222	0.357
H7	1.329	-1.312
H8	-1.329	-1.312

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1074	1.4400	1.4400	2.2252	2.2252	2.2228	2.2228
H2	1.1074		2.1908	2.1908	2.5356	2.5356	3.1802	3.1802
C3	1.4400	2.1908		2.5417	1.1060	3.5384	1.1062	2.8246
C4	1.4400	2.1908	2.5417		3.5384	1.1060	2.8246	1.1062
H5	2.2252	2.5356	1.1060	3.5384		4.4447	1.8926	3.9236
H6	2.2252	2.5356	3.5384	1.1060	4.4447		3.9236	1.8926
H7	2.2228	3.1802	1.1062	2.8246	1.8926	3.9236		2.6576
H8	2.2228	3.1802	2.8246	1.1062	3.9236	1.8926	2.6576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.307	C1	C3	H7	121.053
C1	C4	H6	121.307	C1	C4	H8	121.053
H2	C1	C3	118.049	H2	C1	C4	118.049
C3	C1	C4	123.901	H5	C3	H7	117.640
H6	C4	H8	117.640

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

using model chemistry: CCSD=FULL/CEP-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/CEP-31G

States and conformations

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