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	hartrees
Energy at 0K	-151.759637
Energy at 298.15K
HF Energy	-151.435205
Nuclear repulsion energy	61.381628

Atom	x (Å)	y (Å)	z (Å)
C1	-1.001	-0.683	0.000
C2	0.000	0.501	0.000
O3	1.219	0.492	0.000
H4	-0.472	-1.648	0.000
H5	-1.637	-0.597	0.891
H6	-1.637	-0.597	-0.891

	C1	C2	O3	H4	H5	H6
C1		1.5506	2.5113	1.1002	1.0984	1.0984
C2	1.5506		1.2188	2.2008	2.1635	2.1635
O3	2.5113	1.2188		2.7276	3.1838	3.1838
H4	1.1002	2.2008	2.7276		1.8044	1.8044
H5	1.0984	2.1635	3.1838	1.8044		1.7819
H6	1.0984	2.1635	3.1838	1.8044	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	129.753	C2	C1	H4	111.110
C2	C1	H5	108.304	C2	C1	H6	108.304
H4	C1	H5	110.315	H4	C1	H6	110.315
H5	C1	H6	108.411

All results from a given calculation for CH₃CO (Acetyl radical)

using model chemistry: CCSD(T)/3-21G*

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 CH3CO (Acetyl radical)

using model chemistry: CCSD(T)/3-21G*

States and conformations

All results from a given calculation for CH₃CO (Acetyl radical)