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	hartrees
Energy at 0K	-152.935944
Energy at 298.15K
HF Energy	-152.355866
Nuclear repulsion energy	63.185084

Atom	x (Å)	y (Å)	z (Å)
C1	-0.968	-0.651	0.000
C2	0.000	0.495	0.000
O3	1.183	0.458	0.000
H4	-0.448	-1.604	0.000
H5	-1.602	-0.562	0.874
H6	-1.602	-0.562	-0.874

	C1	C2	O3	H4	H5	H6
C1		1.5002	2.4199	1.0855	1.0835	1.0835
C2	1.5002		1.1832	2.1459	2.1088	2.1088
O3	2.4199	1.1832		2.6285	3.0917	3.0917
H4	1.0855	2.1459	2.6285		1.7841	1.7841
H5	1.0835	2.1088	3.0917	1.7841		1.7480
H6	1.0835	2.1088	3.0917	1.7841	1.7480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.403	C2	C1	H4	111.167
C2	C1	H5	108.333	C2	C1	H6	108.333
H4	C1	H5	110.676	H4	C1	H6	110.676
H5	C1	H6	107.535

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

using model chemistry: MP2=FULL/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=FULL/cc-pVTZ

States and conformations

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