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	hartrees
Energy at 0K	-19.742937
Energy at 298.15K	-19.747007
HF Energy	-19.332938
Nuclear repulsion energy	35.697604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3229	3079
2	A₁	3134	2989
3	A₁	3123	2978
4	A₁	1523	1453
5	A₁	1260	1202
6	A₁	1019	972
7	A₁	423	403
8	A₂	663	632
9	A₂	527	503
10	B₁	944	901
11	B₁	656	626
12	B₁	506	482
13	B₂	3226	3077
14	B₂	3119	2975
15	B₂	1507	1437
16	B₂	1403	1338
17	B₂	1162	1108
18	B₂	928	885

Atom	y (Å)	z (Å)
C1	0.000	0.458
H2	0.000	1.552
C3	1.241	-0.202
C4	-1.241	-0.202
H5	2.179	0.353
H6	-2.179	0.353
H7	1.297	-1.292
H8	-1.297	-1.292

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0945	1.4055	1.4055	2.1819	2.1819	2.1778	2.1778
H2	1.0945		2.1487	2.1487	2.4877	2.4877	3.1258	3.1258
C3	1.4055	2.1487		2.4826	1.0895	3.4652	1.0917	2.7623
C4	1.4055	2.1487	2.4826		3.4652	1.0895	2.7623	1.0917
H5	2.1819	2.4877	1.0895	3.4652		4.3587	1.8664	3.8455
H6	2.1819	2.4877	3.4652	1.0895	4.3587		3.8455	1.8664
H7	2.1778	3.1258	1.0917	2.7623	1.8664	3.8455		2.5935
H8	2.1778	3.1258	2.7623	1.0917	3.8455	1.8664	2.5935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.450	C1	C3	H7	120.887
C1	C4	H6	121.450	C1	C4	H8	120.887
H2	C1	C3	117.975	H2	C1	C4	117.975
C3	C1	C4	124.050	H5	C3	H7	117.663
H6	C4	H8	117.663

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

using model chemistry: QCISD(T)/CEP-121G*

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(T)/CEP-121G*

States and conformations

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