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	hartrees
Energy at 0K	-116.706423
Energy at 298.15K	-116.710499
HF Energy	-116.437958
Nuclear repulsion energy	63.528329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3212	3064	45.97
2	A₁	3115	2970	6.60
3	A₁	3095	2952	21.39
4	A₁	1525	1454	4.26
5	A₁	1254	1196	0.02
6	A₁	1013	966	0.41
7	A₁	419	399	0.00
8	A₂	686	654	0.00
9	A₂	518	494	0.00
10	B₁	942	898	41.65
11	B₁	692	660	98.85
12	B₁	501	478	19.25
13	B₂	3204	3056	11.37
14	B₂	3094	2950	20.28
15	B₂	1507	1437	3.04
16	B₂	1422	1356	3.61
17	B₂	1176	1122	0.26
18	B₂	928	885	0.57

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	1.328	-1.298
H8	-1.328	-1.298

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1007	1.4209	1.4209	2.2015	2.2015	2.2002	2.2002
H2	1.1007		2.1633	2.1633	2.5031	2.5031	3.1488	3.1488
C3	1.4209	2.1633		2.5186	1.0964	3.5044	1.0983	2.8096
C4	1.4209	2.1633	2.5186		3.5044	1.0964	2.8096	1.0983
H5	2.2015	2.5031	1.0964	3.5044		4.3989	1.8753	3.8984
H6	2.2015	2.5031	3.5044	1.0964	4.3989		3.8984	1.8753
H7	2.2002	3.1488	1.0983	2.8096	1.8753	3.8984		2.6554
H8	2.2002	3.1488	2.8096	1.0983	3.8984	1.8753	2.6554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.441	C1	C3	H7	121.167
C1	C4	H6	121.441	C1	C4	H8	121.167
H2	C1	C3	117.596	H2	C1	C4	117.596
C3	C1	C4	124.808	H5	C3	H7	117.392
H6	C4	H8	117.392

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

using model chemistry: QCISD/SDD

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: QCISD/SDD

States and conformations

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