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	hartrees
Energy at 0K	-116.705122
Energy at 298.15K	-116.709343
HF Energy	-116.427864
Nuclear repulsion energy	64.094853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3221	3038	31.43
2	A₁	3127	2949	1.67
3	A₁	3111	2934	21.91
4	A₁	1552	1464	1.74
5	A₁	1288	1215	0.26
6	A₁	1043	984	0.09
7	A₁	435	411	0.01
8	A₂	759	716	0.00
9	A₂	540	509	0.00
10	B₁	978	922	24.94
11	B₁	771	727	83.24
12	B₁	522	492	11.29
13	B₂	3217	3034	10.47
14	B₂	3120	2942	13.27
15	B₂	1530	1442	0.73
16	B₂	1457	1374	3.21
17	B₂	1202	1133	0.05
18	B₂	961	906	0.09

Atom	y (Å)	z (Å)
C1	0.000	0.452
H2	0.000	1.549
C3	1.245	-0.199
C4	-1.245	-0.199
H5	2.184	0.356
H6	-2.184	0.356
H7	1.315	-1.291
H8	-1.315	-1.291

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0970	1.4049	1.4049	2.1864	2.1864	2.1838	2.1838
H2	1.0970		2.1463	2.1463	2.4888	2.4888	3.1301	3.1301
C3	1.4049	2.1463		2.4896	1.0915	3.4738	1.0941	2.7833
C4	1.4049	2.1463	2.4896		3.4738	1.0915	2.7833	1.0941
H5	2.1864	2.4888	1.0915	3.4738		4.3686	1.8626	3.8681
H6	2.1864	2.4888	3.4738	1.0915	4.3686		3.8681	1.8626
H7	2.1838	3.1301	1.0941	2.7833	1.8626	3.8681		2.6308
H8	2.1838	3.1301	2.7833	1.0941	3.8681	1.8626	2.6308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.777	C1	C3	H7	121.320
C1	C4	H6	121.777	C1	C4	H8	121.320
H2	C1	C3	117.622	H2	C1	C4	117.622
C3	C1	C4	124.757	H5	C3	H7	116.903
H6	C4	H8	116.903

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

using model chemistry: CCSD/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/6-31G

States and conformations

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