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	hartrees
Energy at 0K	-19.520908
Energy at 298.15K	-19.525077
HF Energy	-19.278102
Nuclear repulsion energy	35.125644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3222	3222
2	A₁	3126	3126
3	A₁	3104	3104
4	A₁	1525	1525
5	A₁	1277	1277
6	A₁	1025	1025
7	A₁	418	418
8	A₂	710	710
9	A₂	548	548
10	B₁	1016	1016
11	B₁	742	742
12	B₁	530	530
13	B₂	3214	3214
14	B₂	3108	3108
15	B₂	1502	1502
16	B₂	1410	1410
17	B₂	1168	1168
18	B₂	922	922

Atom	y (Å)	z (Å)
C1	0.000	0.466
H2	0.000	1.573
C3	1.264	-0.206
C4	-1.264	-0.206
H5	2.214	0.358
H6	-2.214	0.358
H7	1.322	-1.309
H8	-1.322	-1.309

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1069	1.4316	1.4316	2.2170	2.2170	2.2136	2.2136
H2	1.1069		2.1822	2.1822	2.5260	2.5260	3.1711	3.1711
C3	1.4316	2.1822		2.5283	1.1047	3.5239	1.1052	2.8117
C4	1.4316	2.1822	2.5283		3.5239	1.1047	2.8117	1.1052
H5	2.2170	2.5260	1.1047	3.5239		4.4288	1.8910	3.9095
H6	2.2170	2.5260	3.5239	1.1047	4.4288		3.9095	1.8910
H7	2.2136	3.1711	1.1052	2.8117	1.8910	3.9095		2.6438
H8	2.2136	3.1711	2.8117	1.1052	3.9095	1.8910	2.6438

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.347	C1	C3	H7	120.984
C1	C4	H6	121.347	C1	C4	H8	120.984
H2	C1	C3	117.989	H2	C1	C4	117.989
C3	C1	C4	124.022	H5	C3	H7	117.669
H6	C4	H8	117.669

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

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

States and conformations

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