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	hartrees
Energy at 0K	-116.889241
Energy at 298.15K	-116.893557
HF Energy	-116.498254
Nuclear repulsion energy	65.137049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3313	3148	12.66
2	A₁	3208	3048	0.29
3	A₁	3201	3042	14.05
4	A₁	1551	1474	3.01
5	A₁	1307	1242	1.10
6	A₁	1065	1012	0.04
7	A₁	435	413	0.14
8	A₂	792	752	0.00
9	A₂	586	557	0.00
10	B₁	1051	998	28.27
11	B₁	808	767	79.01
12	B₁	551	524	15.57
13	B₂	3311	3146	3.51
14	B₂	3198	3038	7.77
15	B₂	1512	1437	0.61
16	B₂	1424	1353	8.37
17	B₂	1136	1079	0.50
18	B₂	946	898	0.11

Atom	y (Å)	z (Å)
C1	0.000	0.447
H2	0.000	1.535
C3	1.220	-0.197
C4	-1.220	-0.197
H5	2.151	0.355
H6	-2.151	0.355
H7	1.274	-1.280
H8	-1.274	-1.280

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0879	1.3790	1.3790	2.1525	2.1525	2.1460	2.1460
H2	1.0879		2.1181	2.1181	2.4529	2.4529	3.0897	3.0897
C3	1.3790	2.1181		2.4390	1.0823	3.4149	1.0845	2.7185
C4	1.3790	2.1181	2.4390		3.4149	1.0823	2.7185	1.0845
H5	2.1525	2.4529	1.0823	3.4149		4.3010	1.8552	3.7947
H6	2.1525	2.4529	3.4149	1.0823	4.3010		3.7947	1.8552
H7	2.1460	3.0897	1.0845	2.7185	1.8552	3.7947		2.5477
H8	2.1460	3.0897	2.7185	1.0845	3.7947	1.8552	2.5477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.511	C1	C3	H7	120.705
C1	C4	H6	121.511	C1	C4	H8	120.705
H2	C1	C3	117.833	H2	C1	C4	117.833
C3	C1	C4	124.334	H5	C3	H7	117.784
H6	C4	H8	117.784

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

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

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: MP2/6-311G**

States and conformations

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