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	hartrees
Energy at 0K	-116.860677
Energy at 298.15K	-116.864976
HF Energy	-116.467411
Nuclear repulsion energy	64.886182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3282	3134
2	A₁	3188	3043
3	A₁	3171	3027
4	A₁	1566	1495
5	A₁	1317	1257
6	A₁	1069	1021
7	A₁	436	417
8	A₂	792	756
9	A₂	583	557
10	B₁	1041	994
11	B₁	806	770
12	B₁	556	531
13	B₂	3280	3132
14	B₂	3180	3037
15	B₂	1529	1460
16	B₂	1442	1377
17	B₂	1172	1119
18	B₂	958	915

Atom	y (Å)	z (Å)
C1	0.000	0.447
H2	0.000	1.540
C3	1.224	-0.197
C4	-1.224	-0.197
H5	2.161	0.354
H6	-2.161	0.354
H7	1.287	-1.284
H8	-1.287	-1.284

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0926	1.3836	1.3836	2.1629	2.1629	2.1575	2.1575
H2	1.0926		2.1251	2.1251	2.4649	2.4649	3.1035	3.1035
C3	1.3836	2.1251		2.4487	1.0866	3.4297	1.0888	2.7368
C4	1.3836	2.1251	2.4487		3.4297	1.0866	2.7368	1.0888
H5	2.1629	2.4649	1.0866	3.4297		4.3217	1.8564	3.8175
H6	2.1629	2.4649	3.4297	1.0866	4.3217		3.8175	1.8564
H7	2.1575	3.1035	1.0888	2.7368	1.8564	3.8175		2.5747
H8	2.1575	3.1035	2.7368	1.0888	3.8175	1.8564	2.5747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.767	C1	C3	H7	121.076
C1	C4	H6	121.767	C1	C4	H8	121.076
H2	C1	C3	117.759	H2	C1	C4	117.759
C3	C1	C4	124.482	H5	C3	H7	117.157
H6	C4	H8	117.157

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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