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	hartrees
Energy at 0K	-152.893737
Energy at 298.15K
HF Energy	-152.355457
Nuclear repulsion energy	62.954593

Atom	x (Å)	y (Å)	z (Å)
C1	-0.971	-0.655	0.000
C2	0.000	0.500	0.000
O3	1.186	0.459	0.000
H4	-0.446	-1.609	0.000
H5	-1.607	-0.567	0.877
H6	-1.607	-0.567	-0.877

	C1	C2	O3	H4	H5	H6
C1		1.5089	2.4277	1.0890	1.0870	1.0870
C2	1.5089		1.1864	2.1559	2.1188	2.1188
O3	2.4277	1.1864		2.6349	3.1018	3.1018
H4	1.0890	2.1559	2.6349		1.7898	1.7898
H5	1.0870	2.1188	3.1018	1.7898		1.7544
H6	1.0870	2.1188	3.1018	1.7898	1.7544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.100	C2	C1	H4	111.136
C2	C1	H5	108.319	C2	C1	H6	108.319
H4	C1	H5	110.673	H4	C1	H6	110.673
H5	C1	H6	107.604

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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