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	hartrees
Energy at 0K	-116.912586
Energy at 298.15K	-116.916819
HF Energy	-116.476791
Nuclear repulsion energy	64.752323

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3315	3107
2	A₁	3216	3014
3	A₁	3207	3006
4	A₁	1567	1469
5	A₁	1295	1214
6	A₁	1051	985
7	A₁	430	403
8	A₂	753	705
9	A₂	562	527
10	B₁	999	937
11	B₁	755	707
12	B₁	531	498
13	B₂	3312	3104
14	B₂	3208	3006
15	B₂	1550	1453
16	B₂	1449	1358
17	B₂	1207	1131
18	B₂	955	895

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		1.0866	1.3917	1.3917	2.1645	2.1645	2.1582	2.1582
H2	1.0866		2.1290	2.1290	2.4678	2.4678	3.0992	3.0992
C3	1.3917	2.1290		2.4599	1.0813	3.4360	1.0835	2.7388
C4	1.3917	2.1290	2.4599		3.4360	1.0813	2.7388	1.0835
H5	2.1645	2.4678	1.0813	3.4360		4.3241	1.8505	3.8140
H6	2.1645	2.4678	3.4360	1.0813	4.3241		3.8140	1.8505
H7	2.1582	3.0992	1.0835	2.7388	1.8505	3.8140		2.5721
H8	2.1582	3.0992	2.7388	1.0835	3.8140	1.8505	2.5721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.651	C1	C3	H7	120.864
C1	C4	H6	121.651	C1	C4	H8	120.864
H2	C1	C3	117.897	H2	C1	C4	117.897
C3	C1	C4	124.207	H5	C3	H7	117.485
H6	C4	H8	117.485

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

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

States and conformations

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