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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	3041
2	A₁	3126	2950
3	A₁	3104	2930
4	A₁	1525	1439
5	A₁	1277	1206
6	A₁	1025	967
7	A₁	418	395
8	A₂	710	670
9	A₂	548	517
10	B₁	1016	959
11	B₁	742	701
12	B₁	530	501
13	B₂	3214	3034
14	B₂	3108	2933
15	B₂	1502	1417
16	B₂	1410	1331
17	B₂	1168	1103
18	B₂	922	870

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/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)