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	hartrees
Energy at 0K	-152.746740
Energy at 298.15K
HF Energy	-152.300833
Nuclear repulsion energy	62.724092

Atom	x (Å)	y (Å)	z (Å)
C1	-0.978	-0.646	0.000
C2	0.000	0.507	0.000
O3	1.195	0.445	0.000
H4	-0.459	-1.602	0.000
H5	-1.614	-0.560	0.877
H6	-1.614	-0.560	-0.877

	C1	C2	O3	H4	H5	H6
C1		1.5122	2.4319	1.0878	1.0866	1.0866
C2	1.5122		1.1963	2.1584	2.1244	2.1244
O3	2.4319	1.1963		2.6321	3.1096	3.1096
H4	1.0878	2.1584	2.6321		1.7857	1.7857
H5	1.0866	2.1244	3.1096	1.7857		1.7541
H6	1.0866	2.1244	3.1096	1.7857	1.7541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.372	C2	C1	H4	111.177
C2	C1	H5	108.548	C2	C1	H6	108.548
H4	C1	H5	110.418	H4	C1	H6	110.418
H5	C1	H6	107.630

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

using model chemistry: MP2=FULL/6-31G**

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/6-31G**

States and conformations

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