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	hartrees
Energy at 0K	-28.586903
Energy at 298.15K
HF Energy	-28.298435
Nuclear repulsion energy	33.693474

Atom	x (Å)	y (Å)	z (Å)
C1	-0.942	-0.686	0.000
C2	0.000	0.561	0.000
O3	1.217	0.560	0.000
H4	-0.367	-1.626	0.000
H5	-1.584	-0.617	0.890
H6	-1.584	-0.617	-0.890

	C1	C2	O3	H4	H5	H6
C1		1.5631	2.4921	1.1015	1.1000	1.1000
C2	1.5631		1.2168	2.2177	2.1654	2.1654
O3	2.4921	1.2168		2.6988	3.1653	3.1653
H4	1.1015	2.2177	2.6988		1.8145	1.8145
H5	1.1000	2.1654	3.1653	1.8145		1.7807
H6	1.1000	2.1654	3.1653	1.8145	1.7807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.955	C2	C1	H4	111.497
C2	C1	H5	107.529	C2	C1	H6	107.529
H4	C1	H5	111.017	H4	C1	H6	111.017
H5	C1	H6	108.081

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

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

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