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	hartrees
Energy at 0K	-116.103439
Energy at 298.15K	-116.107701
HF Energy	-115.821948
Nuclear repulsion energy	64.407439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3220	3220	20.11
2	A₁	3129	3129	0.94
3	A₁	3119	3119	14.38
4	A₁	1566	1566	2.11
5	A₁	1292	1292	0.14
6	A₁	1043	1043	0.22
7	A₁	448	448	0.00
8	A₂	767	767	0.00
9	A₂	550	550	0.00
10	B₁	993	993	23.73
11	B₁	782	782	82.51
12	B₁	529	529	13.41
13	B₂	3215	3215	6.88
14	B₂	3123	3123	9.08
15	B₂	1538	1538	1.25
16	B₂	1465	1465	3.08
17	B₂	1169	1169	0.04
18	B₂	976	976	0.26

Atom	y (Å)	z (Å)
C1	0.000	0.452
H2	0.000	1.545
C3	1.237	-0.199
C4	-1.237	-0.199
H5	2.174	0.353
H6	-2.174	0.353
H7	1.301	-1.287
H8	-1.301	-1.287

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0928	1.3979	1.3979	2.1765	2.1765	2.1722	2.1722
H2	1.0928		2.1381	2.1381	2.4794	2.4794	3.1168	3.1168
C3	1.3979	2.1381		2.4739	1.0880	3.4557	1.0902	2.7615
C4	1.3979	2.1381	2.4739		3.4557	1.0880	2.7615	1.0902
H5	2.1765	2.4794	1.0880	3.4557		4.3486	1.8586	3.8432
H6	2.1765	2.4794	3.4557	1.0880	4.3486		3.8432	1.8586
H7	2.1722	3.1168	1.0902	2.7615	1.8586	3.8432		2.6021
H8	2.1722	3.1168	2.7615	1.0902	3.8432	1.8586	2.6021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.729	C1	C3	H7	121.134
C1	C4	H6	121.729	C1	C4	H8	121.134
H2	C1	C3	117.763	H2	C1	C4	117.763
C3	C1	C4	124.474	H5	C3	H7	117.137
H6	C4	H8	117.137

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

using model chemistry: CCSD=FULL/3-21G

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/3-21G

States and conformations

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