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	hartrees
Energy at 0K	-152.833064
Energy at 298.15K
HF Energy	-152.332628
Nuclear repulsion energy	62.838283

Atom	x (Å)	y (Å)	z (Å)
C1	-0.971	-0.659	0.000
C2	0.000	0.505	0.000
O3	1.185	0.462	0.000
H4	-0.438	-1.613	0.000
H5	-1.610	-0.579	0.880
H6	-1.610	-0.579	-0.880

	C1	C2	O3	H4	H5	H6
C1		1.5155	2.4302	1.0926	1.0906	1.0906
C2	1.5155		1.1860	2.1621	2.1308	2.1308
O3	2.4302	1.1860		2.6342	3.1098	3.1098
H4	1.0926	2.1621	2.6342		1.7937	1.7937
H5	1.0906	2.1308	3.1098	1.7937		1.7601
H6	1.0906	2.1308	3.1098	1.7937	1.7601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.791	C2	C1	H4	110.954
C2	C1	H5	108.599	C2	C1	H6	108.599
H4	C1	H5	110.494	H4	C1	H6	110.494
H5	C1	H6	107.605

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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