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	hartrees
Energy at 0K	-117.130349
Energy at 298.15K
HF Energy	-116.519158
Nuclear repulsion energy	65.304128

Atom	y (Å)	z (Å)
C1	0.000	0.446
H2	0.000	1.526
C3	1.219	-0.197
C4	-1.219	-0.197
H5	2.143	0.354
H6	-2.143	0.354
H7	1.274	-1.273
H8	-1.274	-1.273

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0805	1.3777	1.3777	2.1450	2.1450	2.1397	2.1397
H2	1.0805		2.1105	2.1105	2.4429	2.4429	3.0759	3.0759
C3	1.3777	2.1105		2.4374	1.0758	3.4064	1.0781	2.7150
C4	1.3777	2.1105	2.4374		3.4064	1.0758	2.7150	1.0781
H5	2.1450	2.4429	1.0758	3.4064		4.2860	1.8448	3.7843
H6	2.1450	2.4429	3.4064	1.0758	4.2860		3.7843	1.8448
H7	2.1397	3.0759	1.0781	2.7150	1.8448	3.7843		2.5474
H8	2.1397	3.0759	2.7150	1.0781	3.7843	1.8448	2.5474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.423	C1	C3	H7	120.727
C1	C4	H6	121.423	C1	C4	H8	120.727
H2	C1	C3	117.802	H2	C1	C4	117.802
C3	C1	C4	124.397	H5	C3	H7	117.851
H6	C4	H8	117.851

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVQZ

States and conformations

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