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	hartrees
Energy at 0K	-152.519526
Energy at 298.15K
HF Energy	-152.220934
Nuclear repulsion energy	61.959237

Atom	x (Å)	y (Å)	z (Å)
C1	-0.988	-0.668	0.000
C2	0.000	0.504	0.000
O3	1.207	0.472	0.000
H4	-0.475	-1.639	0.000
H5	-1.628	-0.575	0.886
H6	-1.628	-0.575	-0.886

	C1	C2	O3	H4	H5	H6
C1		1.5328	2.4736	1.0981	1.0967	1.0967
C2	1.5328		1.2078	2.1949	2.1444	2.1444
O3	2.4736	1.2078		2.6993	3.1494	3.1494
H4	1.0981	2.1949	2.6993		1.8015	1.8015
H5	1.0967	2.1444	3.1494	1.8015		1.7716
H6	1.0967	2.1444	3.1494	1.8015	1.7716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.605	C2	C1	H4	112.028
C2	C1	H5	108.134	C2	C1	H6	108.134
H4	C1	H5	110.332	H4	C1	H6	110.332
H5	C1	H6	107.744

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)