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	hartrees
Energy at 0K	-152.752139
Energy at 298.15K
HF Energy	-152.309614
Nuclear repulsion energy	62.484426

Atom	x (Å)	y (Å)	z (Å)
C1	-0.976	-0.659	0.000
C2	0.000	0.507	0.000
O3	1.193	0.460	0.000
H4	-0.444	-1.624	0.000
H5	-1.620	-0.573	0.887
H6	-1.620	-0.573	-0.887

	C1	C2	O3	H4	H5	H6
C1		1.5207	2.4407	1.1017	1.0998	1.0998
C2	1.5207		1.1937	2.1767	2.1398	2.1398
O3	2.4407	1.1937		2.6501	3.1253	3.1253
H4	1.1017	2.1767	2.6501		1.8095	1.8095
H5	1.0998	2.1398	3.1253	1.8095		1.7748
H6	1.0998	2.1398	3.1253	1.8095	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.685	C2	C1	H4	111.196
C2	C1	H5	108.414	C2	C1	H6	108.414
H4	C1	H5	110.562	H4	C1	H6	110.562
H5	C1	H6	107.580

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

using model chemistry: MP2=FULL/cc-pVDZ

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-pVDZ

States and conformations

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