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	hartrees
Energy at 0K	-152.534796
Energy at 298.15K
HF Energy	-152.219669
Nuclear repulsion energy	61.616720

Atom	x (Å)	y (Å)	z (Å)
C1	-1.002	-0.652	0.000
C2	0.000	0.501	0.000
O3	1.223	0.459	0.000
H4	-0.483	-1.626	0.000
H5	-1.644	-0.572	0.890
H6	-1.644	-0.572	-0.890

	C1	C2	O3	H4	H5	H6
C1		1.5280	2.4867	1.1029	1.1007	1.1007
C2	1.5280		1.2234	2.1811	2.1558	2.1558
O3	2.4867	1.2234		2.6937	3.1739	3.1739
H4	1.1029	2.1811	2.6937		1.8031	1.8031
H5	1.1007	2.1558	3.1739	1.8031		1.7806
H6	1.1007	2.1558	3.1739	1.8031	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.991	C2	C1	H4	110.974
C2	C1	H5	109.104	C2	C1	H6	109.104
H4	C1	H5	109.819	H4	C1	H6	109.819
H5	C1	H6	107.960

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

using model chemistry: CCSD/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: CCSD/6-31G

States and conformations

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