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	hartrees
Energy at 0K	-116.913616
Energy at 298.15K	-116.917814
HF Energy	-116.488959
Nuclear repulsion energy	64.552047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3234	3113
2	A₁	3141	3023
3	A₁	3133	3016
4	A₁	1531	1474
5	A₁	1278	1230
6	A₁	1036	998
7	A₁	432	416
8	A₂	736	708
9	A₂	550	529
10	B₁	974	938
11	B₁	741	713
12	B₁	523	504
13	B₂	3231	3110
14	B₂	3131	3014
15	B₂	1516	1459
16	B₂	1423	1370
17	B₂	1182	1137
18	B₂	946	910

Atom	y (Å)	z (Å)
C1	0.000	0.452
H2	0.000	1.545
C3	1.233	-0.199
C4	-1.233	-0.199
H5	2.169	0.355
H6	-2.169	0.355
H7	1.293	-1.287
H8	-1.293	-1.287

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0930	1.3940	1.3940	2.1708	2.1708	2.1669	2.1669
H2	1.0930		2.1355	2.1355	2.4736	2.4736	3.1130	3.1130
C3	1.3940	2.1355		2.4657	1.0873	3.4462	1.0896	2.7504
C4	1.3940	2.1355	2.4657		3.4462	1.0873	2.7504	1.0896
H5	2.1708	2.4736	1.0873	3.4462		4.3372	1.8604	3.8314
H6	2.1708	2.4736	3.4462	1.0873	4.3372		3.8314	1.8604
H7	2.1669	3.1130	1.0896	2.7504	1.8604	3.8314		2.5866
H8	2.1669	3.1130	2.7504	1.0896	3.8314	1.8604	2.5866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.561	C1	C3	H7	121.006
C1	C4	H6	121.561	C1	C4	H8	121.006
H2	C1	C3	117.825	H2	C1	C4	117.825
C3	C1	C4	124.349	H5	C3	H7	117.434
H6	C4	H8	117.434

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

using model chemistry: CCSD(T)/6-311G*

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(T)/6-311G*

States and conformations

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