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	hartrees
Energy at 0K	-116.676117
Energy at 298.15K	-116.680320
HF Energy	-116.439291
Nuclear repulsion energy	63.971502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3286	3029	45.06
2	A₁	3191	2941	4.49
3	A₁	3168	2921	23.18
4	A₁	1560	1438	4.73
5	A₁	1289	1188	0.05
6	A₁	1043	962	0.44
7	A₁	431	397	0.00
8	A₂	736	678	0.00
9	A₂	548	505	0.00
10	B₁	992	914	39.52
11	B₁	751	692	108.84
12	B₁	528	486	20.68
13	B₂	3278	3022	10.74
14	B₂	3165	2918	22.12
15	B₂	1538	1418	2.59
16	B₂	1454	1340	5.60
17	B₂	1191	1097	0.01
18	B₂	952	878	0.64

Atom	y (Å)	z (Å)
C1	0.000	0.452
H2	0.000	1.547
C3	1.250	-0.200
C4	-1.250	-0.200
H5	2.185	0.361
H6	-2.185	0.361
H7	1.319	-1.290
H8	-1.319	-1.290

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0941	1.4103	1.4103	2.1865	2.1865	2.1855	2.1855
H2	1.0941		2.1481	2.1481	2.4855	2.4855	3.1283	3.1283
C3	1.4103	2.1481		2.5004	1.0900	3.4803	1.0918	2.7912
C4	1.4103	2.1481	2.5004		3.4803	1.0900	2.7912	1.0918
H5	2.1865	2.4855	1.0900	3.4803		4.3691	1.8638	3.8735
H6	2.1865	2.4855	3.4803	1.0900	4.3691		3.8735	1.8638
H7	2.1855	3.1283	1.0918	2.7912	1.8638	3.8735		2.6390
H8	2.1855	3.1283	2.7912	1.0918	3.8735	1.8638	2.6390

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.439	C1	C3	H7	121.203
C1	C4	H6	121.439	C1	C4	H8	121.203
H2	C1	C3	117.565	H2	C1	C4	117.565
C3	C1	C4	124.869	H5	C3	H7	117.357
H6	C4	H8	117.357

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

using model chemistry: CISD/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: CISD/SDD

States and conformations

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