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	hartrees
Energy at 0K	-152.784623
Energy at 298.15K	-152.786859
HF Energy	-152.306061
Nuclear repulsion energy	62.488155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	876	823
2	A'	470	441
3	A"	3194	2999
4	A"	1496	1404
5	A"	973	914
6	A"	86	81
7	A'	3188	2994
8	A'	3083	2895
9	A'	1880	1765
10	A'	1498	1406
11	A'	1397	1312
12	A'	1068	1003

Atom	x (Å)	y (Å)	z (Å)
C1	-0.983	-0.653	0.000
C2	0.000	0.506	0.000
O3	1.198	0.453	0.000
H4	-0.450	-1.607	0.000
H5	-1.618	-0.568	0.883
H6	-1.618	-0.568	-0.883

	C1	C2	O3	H4	H5	H6
C1		1.5194	2.4451	1.0929	1.0907	1.0907
C2	1.5194		1.1991	2.1604	2.1334	2.1334
O3	2.4451	1.1991		2.6382	3.1229	3.1229
H4	1.0929	2.1604	2.6382		1.7950	1.7950
H5	1.0907	2.1334	3.1229	1.7950		1.7652
H6	1.0907	2.1334	3.1229	1.7950	1.7652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.774	C2	C1	H4	110.528
C2	C1	H5	108.527	C2	C1	H6	108.527
H4	C1	H5	110.578	H4	C1	H6	110.578
H5	C1	H6	108.025

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

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

States and conformations

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