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	hartrees
Energy at 0K	-116.684796
Energy at 298.15K	-116.689108
HF Energy	-116.428513
Nuclear repulsion energy	64.475549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3270	3159	28.52
2	A₁	3174	3065	2.29
3	A₁	3156	3048	20.03
4	A₁	1577	1523	2.16
5	A₁	1318	1273	0.31
6	A₁	1069	1033	0.10
7	A₁	444	429	0.03
8	A₂	794	767	0.00
9	A₂	572	553	0.00
10	B₁	1026	991	26.69
11	B₁	808	781	94.11
12	B₁	549	530	12.24
13	B₂	3266	3155	9.03
14	B₂	3167	3059	13.21
15	B₂	1544	1491	0.73
16	B₂	1471	1421	5.49
17	B₂	1184	1144	0.64
18	B₂	975	942	0.16

Atom	y (Å)	z (Å)
C1	0.000	0.448
H2	0.000	1.542
C3	1.236	-0.198
C4	-1.236	-0.198
H5	2.173	0.356
H6	-2.173	0.356
H7	1.307	-1.286
H8	-1.307	-1.286

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0942	1.3945	1.3945	2.1749	2.1749	2.1718	2.1718
H2	1.0942		2.1344	2.1344	2.4758	2.4758	3.1160	3.1160
C3	1.3945	2.1344		2.4718	1.0883	3.4535	1.0910	2.7659
C4	1.3945	2.1344	2.4718		3.4535	1.0883	2.7659	1.0910
H5	2.1749	2.4758	1.0883	3.4535		4.3459	1.8566	3.8478
H6	2.1749	2.4758	3.4535	1.0883	4.3459		3.8478	1.8566
H7	2.1718	3.1160	1.0910	2.7659	1.8566	3.8478		2.6136
H8	2.1718	3.1160	2.7659	1.0910	3.8478	1.8566	2.6136

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.834	C1	C3	H7	121.319
C1	C4	H6	121.834	C1	C4	H8	121.319
H2	C1	C3	117.594	H2	C1	C4	117.594
C3	C1	C4	124.811	H5	C3	H7	116.847
H6	C4	H8	116.847

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

using model chemistry: MP3/6-31G

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: MP3/6-31G

States and conformations

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