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	hartrees
Energy at 0K	-116.696039
Energy at 298.15K	-116.700263
HF Energy	-116.439190
Nuclear repulsion energy	64.043474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3291	3103	35.51
2	A₁	3181	2998	5.81
3	A₁	3163	2981	19.44
4	A₁	1560	1470	5.30
5	A₁	1294	1220	0.07
6	A₁	1050	990	0.55
7	A₁	432	407	0.00
8	A₂	740	698	0.00
9	A₂	560	528	0.00
10	B₁	1017	959	45.44
11	B₁	753	710	117.94
12	B₁	539	509	23.06
13	B₂	3284	3095	7.82
14	B₂	3161	2980	21.11
15	B₂	1530	1443	3.08
16	B₂	1445	1363	6.64
17	B₂	1158	1091	0.05
18	B₂	949	895	0.81

Atom	y (Å)	z (Å)
C1	0.000	0.451
H2	0.000	1.547
C3	1.248	-0.200
C4	-1.248	-0.200
H5	2.183	0.362
H6	-2.183	0.362
H7	1.317	-1.290
H8	-1.317	-1.290

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0963	1.4071	1.4071	2.1850	2.1850	2.1827	2.1827
H2	1.0963		2.1465	2.1465	2.4840	2.4840	3.1279	3.1279
C3	1.4071	2.1465		2.4957	1.0910	3.4768	1.0930	2.7868
C4	1.4071	2.1465	2.4957		3.4768	1.0910	2.7868	1.0930
H5	2.1850	2.4840	1.0910	3.4768		4.3665	1.8660	3.8703
H6	2.1850	2.4840	3.4768	1.0910	4.3665		3.8703	1.8660
H7	2.1827	3.1279	1.0930	2.7868	1.8660	3.8703		2.6330
H8	2.1827	3.1279	2.7868	1.0930	3.8703	1.8660	2.6330

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.499	C1	C3	H7	121.121
C1	C4	H6	121.499	C1	C4	H8	121.121
H2	C1	C3	117.520	H2	C1	C4	117.520
C3	C1	C4	124.960	H5	C3	H7	117.380
H6	C4	H8	117.380

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

using model chemistry: MP2=FULL/SDD

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: MP2=FULL/SDD

States and conformations

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