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	hartrees
Energy at 0K	-152.735735
Energy at 298.15K	-152.737960
HF Energy	-152.295551
Nuclear repulsion energy	62.488819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	886	844	3.35
2	A'	472	449	5.68
3	A"	3170	3019	4.26
4	A"	1510	1438	10.80
5	A"	984	937	0.01
6	A"	79	75	0.47
7	A'	3166	3015	8.67
8	A'	3072	2925	5.22
9	A'	1907	1816	93.49
10	A'	1512	1440	16.53
11	A'	1412	1345	10.49
12	A'	1083	1032	14.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.980	-0.654	0.000
C2	0.000	0.508	0.000
O3	1.195	0.455	0.000
H4	-0.444	-1.611	0.000
H5	-1.620	-0.577	0.885
H6	-1.620	-0.577	-0.885

	C1	C2	O3	H4	H5	H6
C1		1.5198	2.4418	1.0967	1.0953	1.0953
C2	1.5198		1.1966	2.1651	2.1414	2.1414
O3	2.4418	1.1966		2.6382	3.1269	3.1269
H4	1.0967	2.1651	2.6382		1.7988	1.7988
H5	1.0953	2.1414	3.1269	1.7988		1.7702
H6	1.0953	2.1414	3.1269	1.7988	1.7702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.627	C2	C1	H4	110.644
C2	C1	H5	108.858	C2	C1	H6	108.858
H4	C1	H5	110.297	H4	C1	H6	110.297
H5	C1	H6	107.819

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

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

States and conformations

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