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	hartrees
Energy at 0K	-116.703873
Energy at 298.15K	-116.708165
HF Energy	-116.428166
Nuclear repulsion energy	64.344266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3237	3237
2	A₁	3138	3138
3	A₁	3119	3119
4	A₁	1560	1560
5	A₁	1308	1308
6	A₁	1061	1061
7	A₁	438	438
8	A₂	790	790
9	A₂	566	566
10	B₁	1024	1024
11	B₁	805	805
12	B₁	545	545
13	B₂	3233	3233
14	B₂	3132	3132
15	B₂	1529	1529
16	B₂	1457	1457
17	B₂	1180	1180
18	B₂	964	964

Atom	y (Å)	z (Å)
C1	0.000	0.449
H2	0.000	1.546
C3	1.238	-0.198
C4	-1.238	-0.198
H5	2.178	0.357
H6	-2.178	0.357
H7	1.309	-1.289
H8	-1.309	-1.289

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0970	1.3971	1.3971	2.1798	2.1798	2.1757	2.1757
H2	1.0970		2.1387	2.1387	2.4813	2.4813	3.1225	3.1225
C3	1.3971	2.1387		2.4768	1.0909	3.4609	1.0936	2.7712
C4	1.3971	2.1387	2.4768		3.4609	1.0909	2.7712	1.0936
H5	2.1798	2.4813	1.0909	3.4609		4.3556	1.8612	3.8556
H6	2.1798	2.4813	3.4609	1.0909	4.3556		3.8556	1.8612
H7	2.1757	3.1225	1.0936	2.7712	1.8612	3.8556		2.6177
H8	2.1757	3.1225	2.7712	1.0936	3.8556	1.8612	2.6177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.875	C1	C3	H7	121.263
C1	C4	H6	121.875	C1	C4	H8	121.263
H2	C1	C3	117.571	H2	C1	C4	117.571
C3	C1	C4	124.858	H5	C3	H7	116.861
H6	C4	H8	116.861

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

using model chemistry: MP4=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: MP4=FULL/6-31G

States and conformations

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