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	hartrees
Energy at 0K	-19.713846
Energy at 298.15K	-19.718054
HF Energy	-19.333238
Nuclear repulsion energy	35.942594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3289	3289	21.56
2	A₁	3191	3191	4.38
3	A₁	3181	3181	14.42
4	A₁	1552	1552	3.25
5	A₁	1295	1295	0.64
6	A₁	1051	1051	0.12
7	A₁	433	433	0.06
8	A₂	722	722	0.00
9	A₂	563	563	0.00
10	B₁	1007	1007	43.02
11	B₁	727	727	101.17
12	B₁	538	538	17.44
13	B₂	3287	3287	6.21
14	B₂	3177	3177	12.01
15	B₂	1517	1517	0.78
16	B₂	1418	1418	7.48
17	B₂	1119	1119	0.28
18	B₂	944	944	0.18

Atom	y (Å)	z (Å)
C1	0.000	0.452
H2	0.000	1.543
C3	1.231	-0.199
C4	-1.231	-0.199
H5	2.165	0.354
H6	-2.165	0.354
H7	1.290	-1.285
H8	-1.290	-1.285

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0905	1.3928	1.3928	2.1669	2.1669	2.1638	2.1638
H2	1.0905		2.1331	2.1331	2.4697	2.4697	3.1081	3.1081
C3	1.3928	2.1331		2.4620	1.0852	3.4404	1.0875	2.7445
C4	1.3928	2.1331	2.4620		3.4404	1.0852	2.7445	1.0875
H5	2.1669	2.4697	1.0852	3.4404		4.3294	1.8580	3.8234
H6	2.1669	2.4697	3.4404	1.0852	4.3294		3.8234	1.8580
H7	2.1638	3.1081	1.0875	2.7445	1.8580	3.8234		2.5791
H8	2.1638	3.1081	2.7445	1.0875	3.8234	1.8580	2.5791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.465	C1	C3	H7	120.983
C1	C4	H6	121.465	C1	C4	H8	120.983
H2	C1	C3	117.895	H2	C1	C4	117.895
C3	C1	C4	124.211	H5	C3	H7	117.552
H6	C4	H8	117.552

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

using model chemistry: MP3/CEP-121G*

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/CEP-121G*

States and conformations

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