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	hartrees
Energy at 0K	-150.472672
Energy at 298.15K
HF Energy	-150.317427
Nuclear repulsion energy	61.577626

Atom	x (Å)	y (Å)	z (Å)
C1	-0.972	-0.678	0.000
C2	0.000	0.635	0.000
O3	1.179	0.387	0.000
H4	-0.395	-1.612	0.000
H5	-1.601	-0.614	0.892
H6	-1.601	-0.614	-0.892

	C1	C2	O3	H4	H5	H6
C1		1.6335	2.4005	1.0979	1.0927	1.0927
C2	1.6335		1.2048	2.2809	2.2176	2.2176
O3	2.4005	1.2048		2.5441	3.0863	3.0863
H4	1.0979	2.2809	2.5441		1.8012	1.8012
H5	1.0927	2.2176	3.0863	1.8012		1.7830
H6	1.0927	2.2176	3.0863	1.8012	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	114.666	C2	C1	H4	111.743
C2	C1	H5	107.193	C2	C1	H6	107.193
H4	C1	H5	110.617	H4	C1	H6	110.617
H5	C1	H6	109.348

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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