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	hartrees
Energy at 0K	-152.783558
Energy at 298.15K
HF Energy	-152.306231
Nuclear repulsion energy	62.522655

Atom	x (Å)	y (Å)	z (Å)
C1	-0.982	-0.653	0.000
C2	0.000	0.506	0.000
O3	1.197	0.454	0.000
H4	-0.449	-1.607	0.000
H5	-1.617	-0.569	0.882
H6	-1.617	-0.569	-0.882

	C1	C2	O3	H4	H5	H6
C1		1.5191	2.4437	1.0927	1.0907	1.0907
C2	1.5191		1.1978	2.1602	2.1330	2.1330
O3	2.4437	1.1978		2.6374	3.1214	3.1214
H4	1.0927	2.1602	2.6374		1.7949	1.7949
H5	1.0907	2.1330	3.1214	1.7949		1.7649
H6	1.0907	2.1330	3.1214	1.7949	1.7649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.783	C2	C1	H4	110.539
C2	C1	H5	108.520	C2	C1	H6	108.520
H4	C1	H5	110.582	H4	C1	H6	110.582
H5	C1	H6	108.018

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

using model chemistry: CCSD(T)/6-31+G**

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(T)/6-31+G**

States and conformations

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