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	hartrees
Energy at 0K	-152.770280
Energy at 298.15K	-152.772555
HF Energy	-152.309971
Nuclear repulsion energy	62.448878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3168	3001
2	A'	3062	2900
3	A'	1952	1849
4	A'	1461	1384
5	A'	1358	1287
6	A'	1051	995
7	A'	874	828
8	A'	468	443
9	A"	3177	3010
10	A"	1463	1386
11	A"	953	903
12	A"	113	107

Atom	x (Å)	y (Å)	z (Å)
C1	-0.974	-0.670	0.000
C2	0.000	0.508	0.000
O3	1.188	0.473	0.000
H4	-0.425	-1.629	0.000
H5	-1.618	-0.592	0.892
H6	-1.618	-0.592	-0.892

	C1	C2	O3	H4	H5	H6
C1		1.5283	2.4450	1.1054	1.1029	1.1029
C2	1.5283		1.1885	2.1792	2.1501	2.1501
O3	2.4450	1.1885		2.6494	3.1306	3.1306
H4	1.1054	2.1792	2.6494		1.8149	1.8149
H5	1.1029	2.1501	3.1306	1.8149		1.7844
H6	1.1029	2.1501	3.1306	1.8149	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.874	C2	C1	H4	110.649
C2	C1	H5	108.523	C2	C1	H6	108.523
H4	C1	H5	110.540	H4	C1	H6	110.540
H5	C1	H6	107.984

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

using model chemistry: CCSD/cc-pVDZ

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/cc-pVDZ

States and conformations

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