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	hartrees
Energy at 0K	-28.799684
Energy at 298.15K
HF Energy	-28.377561
Nuclear repulsion energy	34.149124

Atom	x (Å)	y (Å)	z (Å)
C1	-0.931	-0.663	0.000
C2	0.000	0.552	0.000
O3	1.203	0.541	0.000
H4	-0.353	-1.592	0.000
H5	-1.571	-0.603	0.884
H6	-1.571	-0.603	-0.884

	C1	C2	O3	H4	H5	H6
C1		1.5307	2.4502	1.0946	1.0929	1.0929
C2	1.5307		1.2031	2.1732	2.1408	2.1408
O3	2.4502	1.2031		2.6402	3.1278	3.1278
H4	1.0946	2.1732	2.6402		1.8009	1.8009
H5	1.0929	2.1408	3.1278	1.8009		1.7687
H6	1.0929	2.1408	3.1278	1.8009	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	126.928	C2	C1	H4	110.644
C2	C1	H5	108.209	C2	C1	H6	108.209
H4	C1	H5	110.822	H4	C1	H6	110.822
H5	C1	H6	108.030

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)