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	hartrees
Energy at 0K	-152.813066
Energy at 298.15K
HF Energy	-152.350762
Nuclear repulsion energy	62.931796

Atom	x (Å)	y (Å)	z (Å)
C1	-0.971	-0.655	0.000
C2	0.000	0.501	0.000
O3	1.186	0.458	0.000
H4	-0.445	-1.610	0.000
H5	-1.607	-0.568	0.879
H6	-1.607	-0.568	-0.879

	C1	C2	O3	H4	H5	H6
C1		1.5097	2.4271	1.0905	1.0883	1.0883
C2	1.5097		1.1865	2.1574	2.1209	2.1209
O3	2.4271	1.1865		2.6334	3.1023	3.1023
H4	1.0905	2.1574	2.6334		1.7911	1.7911
H5	1.0883	2.1209	3.1023	1.7911		1.7584
H6	1.0883	2.1209	3.1023	1.7911	1.7584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.953	C2	C1	H4	111.105
C2	C1	H5	108.350	C2	C1	H6	108.350
H4	C1	H5	110.576	H4	C1	H6	110.576
H5	C1	H6	107.776

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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