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	hartrees
Energy at 0K	-116.907548
Energy at 298.15K	-116.911870
HF Energy	-116.489187
Nuclear repulsion energy	65.166310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3316	3140	14.04
2	A₁	3212	3042	0.28
3	A₁	3205	3036	14.94
4	A₁	1563	1480	4.14
5	A₁	1319	1249	0.90
6	A₁	1073	1016	0.24
7	A₁	441	418	0.04
8	A₂	793	751	0.00
9	A₂	585	554	0.00
10	B₁	1047	992	31.03
11	B₁	812	769	95.68
12	B₁	556	527	19.79
13	B₂	3314	3139	3.86
14	B₂	3202	3032	9.40
15	B₂	1526	1446	1.14
16	B₂	1441	1365	10.88
17	B₂	1145	1084	0.45
18	B₂	961	910	0.33

Atom	y (Å)	z (Å)
C1	0.000	0.445
H2	0.000	1.533
C3	1.219	-0.196
C4	-1.219	-0.196
H5	2.150	0.355
H6	-2.150	0.355
H7	1.280	-1.278
H8	-1.280	-1.278

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0878	1.3779	1.3779	2.1518	2.1518	2.1472	2.1472
H2	1.0878		2.1161	2.1161	2.4515	2.4515	3.0893	3.0893
C3	1.3779	2.1161		2.4389	1.0816	3.4142	1.0838	2.7240
C4	1.3779	2.1161	2.4389		3.4142	1.0816	2.7240	1.0838
H5	2.1518	2.4515	1.0816	3.4142		4.2998	1.8505	3.7994
H6	2.1518	2.4515	3.4142	1.0816	4.2998		3.7994	1.8505
H7	2.1472	3.0893	1.0838	2.7240	1.8505	3.7994		2.5608
H8	2.1472	3.0893	2.7240	1.0838	3.7994	1.8505	2.5608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.597	C1	C3	H7	120.974
C1	C4	H6	121.597	C1	C4	H8	120.974
H2	C1	C3	117.750	H2	C1	C4	117.750
C3	C1	C4	124.500	H5	C3	H7	117.429
H6	C4	H8	117.429

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G*

States and conformations

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