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	hartrees
Energy at 0K	-152.528691
Energy at 298.15K
HF Energy	-152.245799
Nuclear repulsion energy	61.522958

Atom	x (Å)	y (Å)	z (Å)
C1	-0.993	-0.682	0.000
C2	0.000	0.512	0.000
O3	1.212	0.480	0.000
H4	-0.474	-1.656	0.000
H5	-1.633	-0.581	0.891
H6	-1.633	-0.581	-0.891

	C1	C2	O3	H4	H5	H6
C1		1.5535	2.4927	1.1030	1.1018	1.1018
C2	1.5535		1.2128	2.2194	2.1581	2.1581
O3	2.4927	1.2128		2.7211	3.1649	3.1649
H4	1.1030	2.2194	2.7211		1.8145	1.8145
H5	1.1018	2.1581	3.1649	1.8145		1.7818
H6	1.1018	2.1581	3.1649	1.8145	1.7818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.183	C2	C1	H4	112.215
C2	C1	H5	107.506	C2	C1	H6	107.506
H4	C1	H5	110.759	H4	C1	H6	110.759
H5	C1	H6	107.912

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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