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	hartrees
Energy at 0K	-116.682810
Energy at 298.15K	-116.686998
HF Energy	-116.438574
Nuclear repulsion energy	63.935693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3264	3264	40.70
2	A₁	3163	3163	5.55
3	A₁	3144	3144	20.49
4	A₁	1550	1550	5.07
5	A₁	1285	1285	0.08
6	A₁	1042	1042	0.47
7	A₁	429	429	0.00
8	A₂	726	726	0.00
9	A₂	552	552	0.00
10	B₁	998	998	44.26
11	B₁	737	737	110.88
12	B₁	532	532	22.35
13	B₂	3256	3256	9.33
14	B₂	3143	3143	20.04
15	B₂	1520	1520	2.75
16	B₂	1437	1437	6.66
17	B₂	1150	1150	0.10
18	B₂	942	942	0.70

Atom	y (Å)	z (Å)
C1	0.000	0.452
H2	0.000	1.550
C3	1.249	-0.200
C4	-1.249	-0.200
H5	2.187	0.362
H6	-2.187	0.362
H7	1.319	-1.293
H8	-1.319	-1.293

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0977	1.4094	1.4094	2.1889	2.1889	2.1873	2.1873
H2	1.0977		2.1502	2.1502	2.4887	2.4887	3.1338	3.1338
C3	1.4094	2.1502		2.4990	1.0932	3.4822	1.0952	2.7911
C4	1.4094	2.1502	2.4990		3.4822	1.0932	2.7911	1.0952
H5	2.1889	2.4887	1.0932	3.4822		4.3741	1.8691	3.8768
H6	2.1889	2.4887	3.4822	1.0932	4.3741		3.8768	1.8691
H7	2.1873	3.1338	1.0952	2.7911	1.8691	3.8768		2.6373
H8	2.1873	3.1338	2.7911	1.0952	3.8768	1.8691	2.6373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.492	C1	C3	H7	121.182
C1	C4	H6	121.492	C1	C4	H8	121.182
H2	C1	C3	117.561	H2	C1	C4	117.561
C3	C1	C4	124.878	H5	C3	H7	117.326
H6	C4	H8	117.326

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

using model chemistry: MP3/LANL2DZ

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: MP3/LANL2DZ

States and conformations

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