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	hartrees
Energy at 0K	-152.819570
Energy at 298.15K
HF Energy	-152.313428
Nuclear repulsion energy	62.818985

Atom	x (Å)	y (Å)	z (Å)
C1	-0.971	-0.659	0.000
C2	0.000	0.503	0.000
O3	1.187	0.463	0.000
H4	-0.446	-1.615	0.000
H5	-1.610	-0.574	0.879
H6	-1.610	-0.574	-0.879

	C1	C2	O3	H4	H5	H6
C1		1.5142	2.4322	1.0911	1.0898	1.0898
C2	1.5142		1.1875	2.1643	2.1271	2.1271
O3	2.4322	1.1875		2.6426	3.1098	3.1098
H4	1.0911	2.1643	2.6426		1.7921	1.7921
H5	1.0898	2.1271	3.1098	1.7921		1.7578
H6	1.0898	2.1271	3.1098	1.7921	1.7578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.973	C2	C1	H4	111.306
C2	C1	H5	108.445	C2	C1	H6	108.445
H4	C1	H5	110.512	H4	C1	H6	110.512
H5	C1	H6	107.504

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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