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	hartrees
Energy at 0K	-116.824292
Energy at 298.15K	-116.828630
HF Energy	-116.467480
Nuclear repulsion energy	65.202727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3340	3147	13.27
2	A₁	3239	3052	1.48
3	A₁	3226	3040	13.31
4	A₁	1587	1495	2.61
5	A₁	1335	1258	0.72
6	A₁	1085	1022	0.11
7	A₁	443	417	0.06
8	A₂	808	761	0.00
9	A₂	592	558	0.00
10	B₁	1061	1000	21.92
11	B₁	827	779	86.75
12	B₁	564	531	13.28
13	B₂	3338	3146	4.06
14	B₂	3232	3045	8.13
15	B₂	1548	1458	0.29
16	B₂	1458	1374	7.89
17	B₂	1173	1105	0.65
18	B₂	970	914	0.21

Atom	y (Å)	z (Å)
C1	0.000	0.446
H2	0.000	1.534
C3	1.218	-0.196
C4	-1.218	-0.196
H5	2.151	0.351
H6	-2.151	0.351
H7	1.278	-1.279
H8	-1.278	-1.279

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0880	1.3766	1.3766	2.1533	2.1533	2.1464	2.1464
H2	1.0880		2.1156	2.1156	2.4549	2.4549	3.0893	3.0893
C3	1.3766	2.1156		2.4353	1.0821	3.4130	1.0842	2.7202
C4	1.3766	2.1156	2.4353		3.4130	1.0821	2.7202	1.0842
H5	2.1533	2.4549	1.0821	3.4130		4.3023	1.8491	3.7967
H6	2.1533	2.4549	3.4130	1.0821	4.3023		3.7967	1.8491
H7	2.1464	3.0893	1.0842	2.7202	1.8491	3.7967		2.5557
H8	2.1464	3.0893	2.7202	1.0842	3.7967	1.8491	2.5557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.813	C1	C3	H7	120.982
C1	C4	H6	121.813	C1	C4	H8	120.982
H2	C1	C3	117.801	H2	C1	C4	117.801
C3	C1	C4	124.397	H5	C3	H7	117.205
H6	C4	H8	117.205

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

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