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	hartrees
Energy at 0K	-152.772989
Energy at 298.15K	-152.775198
HF Energy	-152.300295
Nuclear repulsion energy	62.469503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	873	819
2	A'	465	436
3	A"	3203	3002
4	A"	1513	1418
5	A"	973	912
6	A"	74	70
7	A'	3201	3000
8	A'	3096	2902
9	A'	1893	1774
10	A'	1512	1417
11	A'	1401	1313
12	A'	1069	1002

Atom	x (Å)	y (Å)	z (Å)
C1	-0.982	-0.652	0.000
C2	0.000	0.511	0.000
O3	1.198	0.449	0.000
H4	-0.451	-1.606	0.000
H5	-1.619	-0.572	0.881
H6	-1.619	-0.572	-0.881

	C1	C2	O3	H4	H5	H6
C1		1.5227	2.4424	1.0914	1.0902	1.0902
C2	1.5227		1.1993	2.1645	2.1381	2.1381
O3	2.4424	1.1993		2.6345	3.1230	3.1230
H4	1.0914	2.1645	2.6345		1.7915	1.7915
H5	1.0902	2.1381	3.1230	1.7915		1.7625
H6	1.0902	2.1381	3.1230	1.7915	1.7625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.198	C2	C1	H4	110.706
C2	C1	H5	108.694	C2	C1	H6	108.694
H4	C1	H5	110.403	H4	C1	H6	110.403
H5	C1	H6	107.866

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

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

States and conformations

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