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	hartrees
Energy at 0K	-116.900418
Energy at 298.15K	-116.904646
HF Energy	-116.478406
Nuclear repulsion energy	64.270696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3280	3147	15.96
2	A₁	3184	3055	3.40
3	A₁	3172	3043	12.44
4	A₁	1526	1464	1.78
5	A₁	1273	1221	0.99
6	A₁	1039	996	0.00
7	A₁	423	406	0.13
8	A₂	759	729	0.00
9	A₂	551	529	0.00
10	B₁	998	957	19.85
11	B₁	772	741	59.15
12	B₁	528	506	11.59
13	B₂	3277	3144	4.94
14	B₂	3168	3040	8.00
15	B₂	1515	1454	0.17
16	B₂	1416	1358	3.43
17	B₂	1189	1141	0.02
18	B₂	931	893	0.01

Atom	y (Å)	z (Å)
C1	0.000	0.453
H2	0.000	1.552
C3	1.237	-0.200
C4	-1.237	-0.200
H5	2.178	0.360
H6	-2.178	0.360
H7	1.294	-1.296
H8	-1.294	-1.296

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0991	1.3990	1.3990	2.1796	2.1796	2.1754	2.1754
H2	1.0991		2.1450	2.1450	2.4824	2.4824	3.1279	3.1279
C3	1.3990	2.1450		2.4745	1.0947	3.4606	1.0970	2.7582
C4	1.3990	2.1450	2.4745		3.4606	1.0947	2.7582	1.0970
H5	2.1796	2.4824	1.0947	3.4606		4.3552	1.8769	3.8464
H6	2.1796	2.4824	3.4606	1.0947	4.3552		3.8464	1.8769
H7	2.1754	3.1279	1.0970	2.7582	1.8769	3.8464		2.5882
H8	2.1754	3.1279	2.7582	1.0970	3.8464	1.8769	2.5882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.379	C1	C3	H7	120.798
C1	C4	H6	121.379	C1	C4	H8	120.798
H2	C1	C3	117.827	H2	C1	C4	117.827
C3	C1	C4	124.347	H5	C3	H7	117.824
H6	C4	H8	117.824

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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