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	hartrees
Energy at 0K	-152.734306
Energy at 298.15K
HF Energy	-152.300678
Nuclear repulsion energy	62.661908

Atom	x (Å)	y (Å)	z (Å)
C1	-0.979	-0.647	0.000
C2	0.000	0.508	0.000
O3	1.196	0.445	0.000
H4	-0.459	-1.604	0.000
H5	-1.615	-0.561	0.878
H6	-1.615	-0.561	-0.878

	C1	C2	O3	H4	H5	H6
C1		1.5144	2.4337	1.0889	1.0878	1.0878
C2	1.5144		1.1972	2.1609	2.1270	2.1270
O3	2.4337	1.1972		2.6333	3.1122	3.1122
H4	1.0889	2.1609	2.6333		1.7877	1.7877
H5	1.0878	2.1270	3.1122	1.7877		1.7562
H6	1.0878	2.1270	3.1122	1.7877	1.7562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.275	C2	C1	H4	111.158
C2	C1	H5	108.533	C2	C1	H6	108.533
H4	C1	H5	110.432	H4	C1	H6	110.432
H5	C1	H6	107.653

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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