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	hartrees
Energy at 0K	-19.702518
Energy at 298.15K	-19.706600
HF Energy	-19.320551
Nuclear repulsion energy	35.327882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3239	3239
2	A₁	3154	3154
3	A₁	3134	3134
4	A₁	1520	1520
5	A₁	1267	1267
6	A₁	1016	1016
7	A₁	412	412
8	A₂	673	673
9	A₂	526	526
10	B₁	983	983
11	B₁	707	707
12	B₁	512	512
13	B₂	3232	3232
14	B₂	3134	3134
15	B₂	1517	1517
16	B₂	1399	1399
17	B₂	1191	1191
18	B₂	905	905

Atom	y (Å)	z (Å)
C1	0.000	0.468
H2	0.000	1.570
C3	1.254	-0.206
C4	-1.254	-0.206
H5	2.202	0.352
H6	-2.202	0.352
H7	1.301	-1.305
H8	-1.301	-1.305

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1016	1.4235	1.4235	2.2052	2.2052	2.1995	2.1995
H2	1.1016		2.1738	2.1738	2.5166	2.5166	3.1558	3.1558
C3	1.4235	2.1738		2.5074	1.1001	3.5005	1.1004	2.7809
C4	1.4235	2.1738	2.5074		3.5005	1.1001	2.7809	1.1004
H5	2.2052	2.5166	1.1001	3.5005		4.4041	1.8863	3.8749
H6	2.2052	2.5166	3.5005	1.1001	4.4041		3.8749	1.8863
H7	2.1995	3.1558	1.1004	2.7809	1.8863	3.8749		2.6014
H8	2.1995	3.1558	2.7809	1.1004	3.8749	1.8863	2.6014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.273	C1	C3	H7	120.720
C1	C4	H6	121.273	C1	C4	H8	120.720
H2	C1	C3	118.273	H2	C1	C4	118.273
C3	C1	C4	123.453	H5	C3	H7	118.007
H6	C4	H8	118.007

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

using model chemistry: QCISD(TQ)/CEP-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: QCISD(TQ)/CEP-31G*

States and conformations

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