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	hartrees
Energy at 0K	-115.212238
Energy at 298.15K	-115.216346
HF Energy	-115.052551
Nuclear repulsion energy	64.136810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3579	3198	0.89
2	A₁	3467	3099	0.02
3	A₁	3422	3058	0.05
4	A₁	1667	1490	0.01
5	A₁	1366	1221	0.17
6	A₁	1106	988	0.02
7	A₁	441	394	0.00
8	A₂	774	692	0.00
9	A₂	639	571	0.00
10	B₁	1113	994	4.49
11	B₁	780	697	22.19
12	B₁	574	513	3.31
13	B₂	3579	3198	0.05
14	B₂	3415	3052	8.60
15	B₂	1616	1444	2.05
16	B₂	1516	1354	0.80
17	B₂	1127	1007	2.43
18	B₂	997	891	0.20

Atom	y (Å)	z (Å)
C1	0.000	0.454
H2	0.000	1.559
C3	1.238	-0.200
C4	-1.238	-0.200
H5	2.186	0.359
H6	-2.186	0.359
H7	1.302	-1.300
H8	-1.302	-1.300

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.1052	1.3997	1.3997	2.1879	2.1879	2.1837	2.1837
H2	1.1052		2.1507	2.1507	2.4936	2.4936	3.1409	3.1409
C3	1.3997	2.1507		2.4752	1.1006	3.4687	1.1014	2.7671
C4	1.3997	2.1507	2.4752		3.4687	1.1006	2.7671	1.1014
H5	2.1879	2.4936	1.1006	3.4687		4.3716	1.8794	3.8617
H6	2.1879	2.4936	3.4687	1.1006	4.3716		3.8617	1.8794
H7	2.1837	3.1409	1.1014	2.7671	1.8794	3.8617		2.6032
H8	2.1837	3.1409	2.7671	1.1014	3.8617	1.8794	2.6032

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.641	C1	C3	H7	121.177
C1	C4	H6	121.641	C1	C4	H8	121.177
H2	C1	C3	117.846	H2	C1	C4	117.846
C3	C1	C4	124.308	H5	C3	H7	117.182
H6	C4	H8	117.182

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

using model chemistry: MP3/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: MP3/STO-3G

States and conformations

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