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	hartrees
Energy at 0K	-116.657561
Energy at 298.15K	-116.661783
HF Energy	-116.439175
Nuclear repulsion energy	64.032605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3291	3176	35.70
2	A₁	3181	3070	6.07
3	A₁	3162	3053	19.19
4	A₁	1559	1505	5.29
5	A₁	1294	1249	0.07
6	A₁	1050	1013	0.55
7	A₁	432	417	0.00
8	A₂	739	713	0.00
9	A₂	559	540	0.00
10	B₁	1016	981	45.45
11	B₁	752	726	117.98
12	B₁	539	520	22.94
13	B₂	3283	3169	7.89
14	B₂	3161	3051	21.20
15	B₂	1530	1477	3.04
16	B₂	1446	1395	6.61
17	B₂	1157	1117	0.05
18	B₂	950	917	0.80

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	2.184	0.362
H6	-2.184	0.362
H7	1.316	-1.291
H8	-1.316	-1.291

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0963	1.4074	1.4074	2.1854	2.1854	2.1831	2.1831
H2	1.0963		2.1469	2.1469	2.4846	2.4846	3.1284	3.1284
C3	1.4074	2.1469		2.4960	1.0911	3.4772	1.0931	2.7868
C4	1.4074	2.1469	2.4960		3.4772	1.0911	2.7868	1.0931
H5	2.1854	2.4846	1.0911	3.4772		4.3672	1.8662	3.8704
H6	2.1854	2.4846	3.4772	1.0911	4.3672		3.8704	1.8662
H7	2.1831	3.1284	1.0931	2.7868	1.8662	3.8704		2.6327
H8	2.1831	3.1284	2.7868	1.0931	3.8704	1.8662	2.6327

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.496	C1	C3	H7	121.117
C1	C4	H6	121.496	C1	C4	H8	121.117
H2	C1	C3	117.533	H2	C1	C4	117.533
C3	C1	C4	124.933	H5	C3	H7	117.387
H6	C4	H8	117.387

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

using model chemistry: MP2/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/SDD

States and conformations

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