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	hartrees
Energy at 0K	-116.908201
Energy at 298.15K	-116.912515
HF Energy	-116.481354
Nuclear repulsion energy	65.155027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3365	3135	15.54
2	A₁	3263	3040	0.03
3	A₁	3254	3032	16.38
4	A₁	1587	1478	2.43
5	A₁	1324	1234	0.94
6	A₁	1077	1003	0.03
7	A₁	440	410	0.16
8	A₂	792	738	0.00
9	A₂	579	539	0.00
10	B₁	1042	971	33.40
11	B₁	806	751	96.42
12	B₁	546	509	18.94
13	B₂	3363	3133	4.31
14	B₂	3255	3032	9.31
15	B₂	1554	1448	0.26
16	B₂	1460	1360	6.04
17	B₂	1169	1089	0.30
18	B₂	968	901	0.04

Atom	y (Å)	z (Å)
C1	0.000	0.448
H2	0.000	1.530
C3	1.220	-0.198
C4	-1.220	-0.198
H5	2.145	0.353
H6	-2.145	0.353
H7	1.278	-1.276
H8	-1.278	-1.276

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0827	1.3797	1.3797	2.1475	2.1475	2.1455	2.1455
H2	1.0827		2.1149	2.1149	2.4470	2.4470	3.0833	3.0833
C3	1.3797	2.1149		2.4390	1.0776	3.4098	1.0796	2.7204
C4	1.3797	2.1149	2.4390		3.4098	1.0776	2.7204	1.0796
H5	2.1475	2.4470	1.0776	3.4098		4.2910	1.8456	3.7915
H6	2.1475	2.4470	3.4098	1.0776	4.2910		3.7915	1.8456
H7	2.1455	3.0833	1.0796	2.7204	1.8456	3.7915		2.5564
H8	2.1455	3.0833	2.7204	1.0796	3.7915	1.8456	2.5564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.358	C1	C3	H7	120.998
C1	C4	H6	121.358	C1	C4	H8	120.998
H2	C1	C3	117.882	H2	C1	C4	117.882
C3	C1	C4	124.235	H5	C3	H7	117.645
H6	C4	H8	117.645

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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