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	hartrees
Energy at 0K	-151.748820
Energy at 298.15K
HF Energy	-151.435858
Nuclear repulsion energy	61.547559

Atom	x (Å)	y (Å)	z (Å)
C1	-0.998	-0.680	0.000
C2	0.000	0.496	0.000
O3	1.216	0.493	0.000
H4	-0.472	-1.645	0.000
H5	-1.635	-0.597	0.890
H6	-1.635	-0.597	-0.890

	C1	C2	O3	H4	H5	H6
C1		1.5424	2.5055	1.0989	1.0974	1.0974
C2	1.5424		1.2159	2.1925	2.1583	2.1583
O3	2.5055	1.2159		2.7243	3.1790	3.1790
H4	1.0989	2.1925	2.7243		1.8006	1.8006
H5	1.0974	2.1583	3.1790	1.8006		1.7798
H6	1.0974	2.1583	3.1790	1.8006	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	130.186	C2	C1	H4	111.102
C2	C1	H5	108.514	C2	C1	H6	108.514
H4	C1	H5	110.137	H4	C1	H6	110.137
H5	C1	H6	108.365

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

using model chemistry: CCSD/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: CCSD/3-21G*

States and conformations

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