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	hartrees
Energy at 0K	-116.903111
Energy at 298.15K	-116.907430
HF Energy	-116.476743
Nuclear repulsion energy	65.050559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3335	3148
2	A₁	3234	3052
3	A₁	3222	3041
4	A₁	1581	1492
5	A₁	1319	1245
6	A₁	1072	1012
7	A₁	436	411
8	A₂	794	749
9	A₂	592	558
10	B₁	1050	991
11	B₁	802	757
12	B₁	557	525
13	B₂	3333	3145
14	B₂	3226	3044
15	B₂	1546	1459
16	B₂	1450	1368
17	B₂	1171	1105
18	B₂	961	907

Atom	y (Å)	z (Å)
C1	0.000	0.448
H2	0.000	1.534
C3	1.223	-0.197
C4	-1.223	-0.197
H5	2.154	0.351
H6	-2.154	0.351
H7	1.281	-1.278
H8	-1.281	-1.278

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0860	1.3826	1.3826	2.1558	2.1558	2.1493	2.1493
H2	1.0860		2.1193	2.1193	2.4569	2.4569	3.0898	3.0898
C3	1.3826	2.1193		2.4459	1.0802	3.4209	1.0825	2.7274
C4	1.3826	2.1193	2.4459		3.4209	1.0802	2.7274	1.0825
H5	2.1558	2.4569	1.0802	3.4209		4.3073	1.8482	3.8015
H6	2.1558	2.4569	3.4209	1.0802	4.3073		3.8015	1.8482
H7	2.1493	3.0898	1.0825	2.7274	1.8482	3.8015		2.5621
H8	2.1493	3.0898	2.7274	1.0825	3.8015	1.8482	2.5621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.691	C1	C3	H7	120.877
C1	C4	H6	121.691	C1	C4	H8	120.877
H2	C1	C3	117.803	H2	C1	C4	117.803
C3	C1	C4	124.395	H5	C3	H7	117.432
H6	C4	H8	117.432

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

using model chemistry: MP4/6-31G**

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: MP4/6-31G**

States and conformations

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