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	hartrees
Energy at 0K	-116.856331
Energy at 298.15K	-116.860668
HF Energy	-116.478677
Nuclear repulsion energy	64.791338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3334	3169	9.56
2	A₁	3225	3065	1.95
3	A₁	3217	3057	10.68
4	A₁	1546	1470	2.49
5	A₁	1304	1240	1.36
6	A₁	1066	1013	0.02
7	A₁	432	410	0.13
8	A₂	813	773	0.00
9	A₂	589	560	0.00
10	B₁	1064	1011	20.10
11	B₁	832	791	68.93
12	B₁	559	531	12.91
13	B₂	3332	3167	2.62
14	B₂	3212	3053	6.51
15	B₂	1510	1435	0.21
16	B₂	1418	1348	7.77
17	B₂	1154	1097	0.25
18	B₂	942	895	0.13

Atom	y (Å)	z (Å)
C1	0.000	0.448
H2	0.000	1.544
C3	1.225	-0.198
C4	-1.225	-0.198
H5	2.162	0.360
H6	-2.162	0.360
H7	1.280	-1.289
H8	-1.280	-1.289

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0960	1.3849	1.3849	2.1643	2.1643	2.1579	2.1579
H2	1.0960		2.1295	2.1295	2.4657	2.4657	3.1091	3.1091
C3	1.3849	2.1295		2.4500	1.0907	3.4330	1.0931	2.7321
C4	1.3849	2.1295	2.4500		3.4330	1.0907	2.7321	1.0931
H5	2.1643	2.4657	1.0907	3.4330		4.3250	1.8706	3.8166
H6	2.1643	2.4657	3.4330	1.0907	4.3250		3.8166	1.8706
H7	2.1579	3.1091	1.0931	2.7321	1.8706	3.8166		2.5590
H8	2.1579	3.1091	2.7321	1.0931	3.8166	1.8706	2.5590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.465	C1	C3	H7	120.664
C1	C4	H6	121.465	C1	C4	H8	120.664
H2	C1	C3	117.804	H2	C1	C4	117.804
C3	C1	C4	124.392	H5	C3	H7	117.871
H6	C4	H8	117.871

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

using model chemistry: MP2=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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