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	hartrees
Energy at 0K	-152.756773
Energy at 298.15K	-152.759008
HF Energy	-152.301265
Nuclear repulsion energy	62.677636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3217	3000
2	A'	3115	2905
3	A'	1958	1826
4	A'	1521	1418
5	A'	1415	1320
6	A'	1081	1008
7	A'	888	828
8	A'	473	441
9	A"	3218	3001
10	A"	1521	1419
11	A"	984	918
12	A"	80	75

Atom	x (Å)	y (Å)	z (Å)
C1	-0.977	-0.656	0.000
C2	0.000	0.507	0.000
O3	1.191	0.457	0.000
H4	-0.443	-1.607	0.000
H5	-1.613	-0.579	0.880
H6	-1.613	-0.579	-0.880

	C1	C2	O3	H4	H5	H6
C1		1.5188	2.4371	1.0900	1.0889	1.0889
C2	1.5188		1.1922	2.1600	2.1343	2.1343
O3	2.4371	1.1922		2.6331	3.1163	3.1163
H4	1.0900	2.1600	2.6331		1.7888	1.7888
H5	1.0889	2.1343	3.1163	1.7888		1.7604
H6	1.0889	2.1343	3.1163	1.7888	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.627	C2	C1	H4	110.699
C2	C1	H5	108.741	C2	C1	H6	108.741
H4	C1	H5	110.362	H4	C1	H6	110.362
H5	C1	H6	107.864

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)