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	hartrees
Energy at 0K	-117.095522
Energy at 298.15K	-117.099925
HF Energy	-116.518908
Nuclear repulsion energy	65.699801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3330	3185	5.76
2	A₁	3223	3082	0.29
3	A₁	3218	3078	8.66
4	A₁	1557	1489	3.38
5	A₁	1320	1262	1.70
6	A₁	1075	1028	0.01
7	A₁	439	419	0.24
8	A₂	865	827	0.00
9	A₂	606	580	0.00
10	B₁	1092	1044	21.03
11	B₁	894	855	80.89
12	B₁	572	547	18.70
13	B₂	3329	3184	1.74
14	B₂	3214	3073	5.88
15	B₂	1519	1453	1.01
16	B₂	1433	1370	8.31
17	B₂	1144	1094	0.13
18	B₂	949	908	0.03

Atom	y (Å)	z (Å)
C1	0.000	0.444
H2	0.000	1.524
C3	1.208	-0.196
C4	-1.208	-0.196
H5	2.133	0.350
H6	-2.133	0.350
H7	1.257	-1.271
H8	-1.257	-1.271

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0803	1.3666	1.3666	2.1354	2.1354	2.1269	2.1269
H2	1.0803		2.1016	2.1016	2.4351	2.4351	3.0655	3.0655
C3	1.3666	2.1016		2.4153	1.0746	3.3852	1.0770	2.6894
C4	1.3666	2.1016	2.4153		3.3852	1.0746	2.6894	1.0770
H5	2.1354	2.4351	1.0746	3.3852		4.2666	1.8432	3.7584
H6	2.1354	2.4351	3.3852	1.0746	4.2666		3.7584	1.8432
H7	2.1269	3.0655	1.0770	2.6894	1.8432	3.7584		2.5144
H8	2.1269	3.0655	2.6894	1.0770	3.7584	1.8432	2.5144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.565	C1	C3	H7	120.547
C1	C4	H6	121.565	C1	C4	H8	120.547
H2	C1	C3	117.910	H2	C1	C4	117.910
C3	C1	C4	124.180	H5	C3	H7	117.888
H6	C4	H8	117.888

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

using model chemistry: MP2=FULL/aug-cc-pVQZ

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/aug-cc-pVQZ

States and conformations

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