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	hartrees
Energy at 0K	-116.706164
Energy at 298.15K	-116.710245
HF Energy	-116.437680
Nuclear repulsion energy	63.546398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3213	3213	46.38
2	A₁	3115	3115	6.40
3	A₁	3096	3096	21.84
4	A₁	1526	1526	4.25
5	A₁	1256	1256	0.03
6	A₁	1015	1015	0.43
7	A₁	419	419	0.00
8	A₂	690	690	0.00
9	A₂	519	519	0.00
10	B₁	944	944	41.13
11	B₁	697	697	99.15
12	B₁	502	502	19.25
13	B₂	3205	3205	11.38
14	B₂	3095	3095	20.45
15	B₂	1506	1506	3.00
16	B₂	1422	1422	3.80
17	B₂	1170	1170	0.18
18	B₂	928	928	0.58

Atom	y (Å)	z (Å)
C1	0.000	0.456
H2	0.000	1.557
C3	1.259	-0.202
C4	-1.259	-0.202
H5	2.199	0.362
H6	-2.199	0.362
H7	1.327	-1.298
H8	-1.327	-1.298

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1008	1.4203	1.4203	2.2011	2.2011	2.1998	2.1998
H2	1.1008		2.1628	2.1628	2.5028	2.5028	3.1485	3.1485
C3	1.4203	2.1628		2.5174	1.0965	3.5035	1.0983	2.8088
C4	1.4203	2.1628	2.5174		3.5035	1.0965	2.8088	1.0983
H5	2.2011	2.5028	1.0965	3.5035		4.3982	1.8750	3.8977
H6	2.2011	2.5028	3.5035	1.0965	4.3982		3.8977	1.8750
H7	2.1998	3.1485	1.0983	2.8088	1.8750	3.8977		2.6548
H8	2.1998	3.1485	2.8088	1.0983	3.8977	1.8750	2.6548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.457	C1	C3	H7	121.186
C1	C4	H6	121.457	C1	C4	H8	121.186
H2	C1	C3	117.599	H2	C1	C4	117.599
C3	C1	C4	124.802	H5	C3	H7	117.357
H6	C4	H8	117.357

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

using model chemistry: CCSD=FULL/LANL2DZ

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/LANL2DZ

States and conformations

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