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	hartrees
Energy at 0K	-152.935960
Energy at 298.15K
HF Energy	-152.355323
Nuclear repulsion energy	62.796093

Atom	x (Å)	y (Å)	z (Å)
C1	-0.972	-0.662	0.000
C2	0.000	0.503	0.000
O3	1.186	0.466	0.000
H4	-0.436	-1.613	0.000
H5	-1.609	-0.580	0.881
H6	-1.609	-0.580	-0.881

	C1	C2	O3	H4	H5	H6
C1		1.5174	2.4351	1.0919	1.0900	1.0900
C2	1.5174		1.1865	2.1602	2.1299	2.1299
O3	2.4351	1.1865		2.6364	3.1112	3.1112
H4	1.0919	2.1602	2.6364		1.7945	1.7945
H5	1.0900	2.1299	3.1112	1.7945		1.7623
H6	1.0900	2.1299	3.1112	1.7945	1.7623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.059	C2	C1	H4	110.709
C2	C1	H5	108.432	C2	C1	H6	108.432
H4	C1	H5	110.653	H4	C1	H6	110.653
H5	C1	H6	107.870

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

using model chemistry: CCSD(T)/cc-pVTZ

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)/cc-pVTZ

States and conformations

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