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	hartrees
Energy at 0K	-116.913292
Energy at 298.15K	-116.917519
HF Energy	-116.476794
Nuclear repulsion energy	64.744489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3316	3316
2	A₁	3217	3217
3	A₁	3208	3208
4	A₁	1567	1567
5	A₁	1294	1294
6	A₁	1050	1050
7	A₁	430	430
8	A₂	750	750
9	A₂	560	560
10	B₁	996	996
11	B₁	752	752
12	B₁	529	529
13	B₂	3312	3312
14	B₂	3209	3209
15	B₂	1551	1551
16	B₂	1449	1449
17	B₂	1208	1208
18	B₂	955	955

Atom	y (Å)	z (Å)
C1	0.000	0.452
H2	0.000	1.539
C3	1.230	-0.199
C4	-1.230	-0.199
H5	2.162	0.349
H6	-2.162	0.349
H7	1.286	-1.281
H8	-1.286	-1.281

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0864	1.3920	1.3920	2.1647	2.1647	2.1585	2.1585
H2	1.0864		2.1292	2.1292	2.4680	2.4680	3.0994	3.0994
C3	1.3920	2.1292		2.4603	1.0812	3.4363	1.0834	2.7392
C4	1.3920	2.1292	2.4603		3.4363	1.0812	2.7392	1.0834
H5	2.1647	2.4680	1.0812	3.4363		4.3244	1.8503	3.8143
H6	2.1647	2.4680	3.4363	1.0812	4.3244		3.8143	1.8503
H7	2.1585	3.0994	1.0834	2.7392	1.8503	3.8143		2.5727
H8	2.1585	3.0994	2.7392	1.0834	3.8143	1.8503	2.5727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.642	C1	C3	H7	120.880
C1	C4	H6	121.642	C1	C4	H8	120.880
H2	C1	C3	117.906	H2	C1	C4	117.906
C3	C1	C4	124.188	H5	C3	H7	117.478
H6	C4	H8	117.478

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

using model chemistry: QCISD(TQ)/6-31G**

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)/6-31G**

States and conformations

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