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	hartrees
Energy at 0K	-152.801492
Energy at 298.15K	-152.803732
HF Energy	-152.332566
Nuclear repulsion energy	62.694484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	870	833	3.55
2	A'	474	454	5.06
3	A"	3145	3011	4.52
4	A"	1489	1425	13.64
5	A"	974	932	0.06
6	A"	87	83	0.75
7	A'	3139	3006	10.29
8	A'	3043	2913	8.26
9	A'	1916	1834	116.09
10	A'	1494	1431	20.21
11	A'	1392	1333	14.85
12	A'	1069	1023	13.83

Atom	x (Å)	y (Å)	z (Å)
C1	-0.971	-0.668	0.000
C2	0.000	0.507	0.000
O3	1.184	0.472	0.000
H4	-0.424	-1.618	0.000
H5	-1.611	-0.595	0.884
H6	-1.611	-0.595	-0.884

	C1	C2	O3	H4	H5	H6
C1		1.5239	2.4379	1.0963	1.0943	1.0943
C2	1.5239		1.1847	2.1665	2.1430	2.1430
O3	2.4379	1.1847		2.6369	3.1202	3.1202
H4	1.0963	2.1665	2.6369		1.7993	1.7993
H5	1.0943	2.1430	3.1202	1.7993		1.7689
H6	1.0943	2.1430	3.1202	1.7993	1.7689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.896	C2	C1	H4	110.491
C2	C1	H5	108.769	C2	C1	H6	108.769
H4	C1	H5	110.446	H4	C1	H6	110.446
H5	C1	H6	107.851

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

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

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