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	hartrees
Energy at 0K	-151.760816
Energy at 298.15K
HF Energy	-151.435344
Nuclear repulsion energy	61.391467

Atom	x (Å)	y (Å)	z (Å)
C1	-0.993	-0.702	0.000
C2	0.000	0.512	0.000
O3	1.210	0.502	0.000
H4	-0.460	-1.662	0.000
H5	-1.628	-0.608	0.890
H6	-1.628	-0.608	-0.890

	C1	C2	O3	H4	H5	H6
C1		1.5688	2.5106	1.0981	1.0976	1.0976
C2	1.5688		1.2096	2.2226	2.1678	2.1678
O3	2.5106	1.2096		2.7337	3.1748	3.1748
H4	1.0981	2.2226	2.7337		1.8077	1.8077
H5	1.0976	2.1678	3.1748	1.8077		1.7806
H6	1.0976	2.1678	3.1748	1.8077	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.809	C2	C1	H4	111.682
C2	C1	H5	107.462	C2	C1	H6	107.462
H4	C1	H5	110.834	H4	C1	H6	110.834
H5	C1	H6	108.412

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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