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	hartrees
Energy at 0K	-152.785724
Energy at 298.15K
HF Energy	-152.309072
Nuclear repulsion energy	62.255245

Atom	x (Å)	y (Å)	z (Å)
C1	-0.979	-0.667	0.000
C2	0.000	0.512	0.000
O3	1.194	0.466	0.000
H4	-0.432	-1.629	0.000
H5	-1.624	-0.587	0.893
H6	-1.624	-0.587	-0.893

	C1	C2	O3	H4	H5	H6
C1		1.5322	2.4503	1.1064	1.1043	1.1043
C2	1.5322		1.1947	2.1838	2.1543	2.1543
O3	2.4503	1.1947		2.6518	3.1377	3.1377
H4	1.1064	2.1838	2.6518		1.8174	1.8174
H5	1.1043	2.1543	3.1377	1.8174		1.7853
H6	1.1043	2.1543	3.1377	1.8174	1.7853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.510	C2	C1	H4	110.678
C2	C1	H5	108.508	C2	C1	H6	108.508
H4	C1	H5	110.592	H4	C1	H6	110.592
H5	C1	H6	107.874

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

using model chemistry: CCSD(T)/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 CH3CO (Acetyl radical)

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

States and conformations

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