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	hartrees
Energy at 0K	-19.690922
Energy at 298.15K	-19.695123
HF Energy	-19.320892
Nuclear repulsion energy	35.492661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3265	3082
2	A₁	3176	2997
3	A₁	3156	2979
4	A₁	1537	1451
5	A₁	1295	1222
6	A₁	1039	981
7	A₁	421	397
8	A₂	726	685
9	A₂	560	529
10	B₁	1043	985
11	B₁	767	723
12	B₁	543	512
13	B₂	3258	3075
14	B₂	3157	2979
15	B₂	1513	1428
16	B₂	1403	1324
17	B₂	1167	1102
18	B₂	915	863

Atom	y (Å)	z (Å)
C1	0.000	0.464
H2	0.000	1.564
C3	1.246	-0.204
C4	-1.246	-0.204
H5	2.193	0.353
H6	-2.193	0.353
H7	1.294	-1.302
H8	-1.294	-1.302

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1005	1.4136	1.4136	2.1956	2.1956	2.1892	2.1892
H2	1.1005		2.1631	2.1631	2.5051	2.5051	3.1448	3.1448
C3	1.4136	2.1631		2.4918	1.0986	3.4835	1.0989	2.7673
C4	1.4136	2.1631	2.4918		3.4835	1.0986	2.7673	1.0989
H5	2.1956	2.5051	1.0986	3.4835		4.3856	1.8831	3.8598
H6	2.1956	2.5051	3.4835	1.0986	4.3856		3.8598	1.8831
H7	2.1892	3.1448	1.0989	2.7673	1.8831	3.8598		2.5885
H8	2.1892	3.1448	2.7673	1.0989	3.8598	1.8831	2.5885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.343	C1	C3	H7	120.713
C1	C4	H6	121.343	C1	C4	H8	120.713
H2	C1	C3	118.190	H2	C1	C4	118.190
C3	C1	C4	123.620	H5	C3	H7	117.945
H6	C4	H8	117.945

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

using model chemistry: MP4/CEP-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/CEP-31G*

States and conformations

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