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	hartrees
Energy at 0K	-19.679940
Energy at 298.15K	-19.684170
HF Energy	-19.333203
Nuclear repulsion energy	36.012926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3311	3121	18.33
2	A₁	3207	3023	5.16
3	A₁	3197	3014	12.35
4	A₁	1558	1469	3.46
5	A₁	1303	1228	0.74
6	A₁	1057	997	0.15
7	A₁	435	410	0.05
8	A₂	730	688	0.00
9	A₂	569	536	0.00
10	B₁	1023	964	43.15
11	B₁	738	695	104.19
12	B₁	543	512	18.60
13	B₂	3309	3120	5.04
14	B₂	3192	3009	12.52
15	B₂	1522	1435	0.98
16	B₂	1420	1339	7.99
17	B₂	1121	1057	0.19
18	B₂	948	893	0.25

Atom	y (Å)	z (Å)
C1	0.000	0.451
H2	0.000	1.541
C3	1.228	-0.199
C4	-1.228	-0.199
H5	2.161	0.353
H6	-2.161	0.353
H7	1.284	-1.284
H8	-1.284	-1.284

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0894	1.3895	1.3895	2.1632	2.1632	2.1586	2.1586
H2	1.0894		2.1294	2.1294	2.4659	2.4659	3.1027	3.1027
C3	1.3895	2.1294		2.4559	1.0840	3.4336	1.0861	2.7364
C4	1.3895	2.1294	2.4559		3.4336	1.0840	2.7364	1.0861
H5	2.1632	2.4659	1.0840	3.4336		4.3219	1.8565	3.8142
H6	2.1632	2.4659	3.4336	1.0840	4.3219		3.8142	1.8565
H7	2.1586	3.1027	1.0861	2.7364	1.8565	3.8142		2.5687
H8	2.1586	3.1027	2.7364	1.0861	3.8142	1.8565	2.5687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.492	C1	C3	H7	120.879
C1	C4	H6	121.492	C1	C4	H8	120.879
H2	C1	C3	117.904	H2	C1	C4	117.904
C3	C1	C4	124.192	H5	C3	H7	117.630
H6	C4	H8	117.630

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

using model chemistry: MP2=FULL/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: MP2=FULL/CEP-121G*

States and conformations

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