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	hartrees
Energy at 0K	-116.898753
Energy at 298.15K	-116.903119
HF Energy	-116.482778
Nuclear repulsion energy	65.317204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3373	3373	10.65
2	A₁	3277	3277	0.68
3	A₁	3268	3268	11.09
4	A₁	1581	1581	2.66
5	A₁	1321	1321	0.72
6	A₁	1077	1077	0.02
7	A₁	437	437	0.16
8	A₂	826	826	0.00
9	A₂	593	593	0.00
10	B₁	1073	1073	15.26
11	B₁	849	849	70.05
12	B₁	565	565	11.49
13	B₂	3370	3370	2.80
14	B₂	3265	3265	5.89
15	B₂	1549	1549	0.12
16	B₂	1464	1464	6.34
17	B₂	1184	1184	0.84
18	B₂	965	965	0.09

Atom	y (Å)	z (Å)
C1	0.000	0.444
H2	0.000	1.525
C3	1.219	-0.196
C4	-1.219	-0.196
H5	2.144	0.354
H6	-2.144	0.354
H7	1.280	-1.272
H8	-1.280	-1.272

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0811	1.3765	1.3765	2.1459	2.1459	2.1412	2.1412
H2	1.0811		2.1088	2.1088	2.4430	2.4430	3.0763	3.0763
C3	1.3765	2.1088		2.4376	1.0761	3.4074	1.0781	2.7211
C4	1.3765	2.1088	2.4376		3.4074	1.0761	2.7211	1.0781
H5	2.1459	2.4430	1.0761	3.4074		4.2879	1.8410	3.7908
H6	2.1459	2.4430	3.4074	1.0761	4.2879		3.7908	1.8410
H7	2.1412	3.0763	1.0781	2.7211	1.8410	3.7908		2.5609
H8	2.1412	3.0763	2.7211	1.0781	3.7908	1.8410	2.5609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.589	C1	C3	H7	120.975
C1	C4	H6	121.589	C1	C4	H8	120.975
H2	C1	C3	117.697	H2	C1	C4	117.697
C3	C1	C4	124.605	H5	C3	H7	117.437
H6	C4	H8	117.437

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

using model chemistry: CID/6-31G(2df,p)

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: CID/6-31G(2df,p)

States and conformations

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