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	hartrees
Energy at 0K	-115.226805
Energy at 298.15K	-115.230900
HF Energy	-115.052153
Nuclear repulsion energy	64.041361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3546	3546
2	A₁	3437	3437
3	A₁	3391	3391
4	A₁	1655	1655
5	A₁	1361	1361
6	A₁	1101	1101
7	A₁	438	438
8	A₂	772	772
9	A₂	637	637
10	B₁	1108	1108
11	B₁	778	778
12	B₁	572	572
13	B₂	3545	3545
14	B₂	3385	3385
15	B₂	1602	1602
16	B₂	1503	1503
17	B₂	1118	1118
18	B₂	990	990

Atom	y (Å)	z (Å)
C1	0.000	0.454
H2	0.000	1.562
C3	1.239	-0.200
C4	-1.239	-0.200
H5	2.190	0.360
H6	-2.190	0.360
H7	1.303	-1.302
H8	-1.303	-1.302

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1075	1.4013	1.4013	2.1916	2.1916	2.1871	2.1871
H2	1.1075		2.1539	2.1539	2.4976	2.4976	3.1465	3.1465
C3	1.4013	2.1539		2.4783	1.1031	3.4741	1.1039	2.7712
C4	1.4013	2.1539	2.4783		3.4741	1.1031	2.7712	1.1039
H5	2.1916	2.4976	1.1031	3.4741		4.3791	1.8835	3.8682
H6	2.1916	2.4976	3.4741	1.1031	4.3791		3.8682	1.8835
H7	2.1871	3.1465	1.1039	2.7712	1.8835	3.8682		2.6069
H8	2.1871	3.1465	2.7712	1.1039	3.8682	1.8835	2.6069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.657	C1	C3	H7	121.170
C1	C4	H6	121.657	C1	C4	H8	121.170
H2	C1	C3	117.833	H2	C1	C4	117.833
C3	C1	C4	124.334	H5	C3	H7	117.173
H6	C4	H8	117.173

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

using model chemistry: MP4=FULL/STO-3G

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/STO-3G

States and conformations

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