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	hartrees
Energy at 0K	-152.777616
Energy at 298.15K	-152.779857
HF Energy	-152.332500
Nuclear repulsion energy	62.784678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3032	7.06
2	A'	3082	2929	5.37
3	A'	1949	1853	127.74
4	A'	1503	1428	22.47
5	A'	1394	1325	20.89
6	A'	1075	1022	18.87
7	A'	882	838	4.54
8	A'	471	448	5.09
9	A"	3196	3038	1.64
10	A"	1498	1424	16.03
11	A"	977	928	0.04
12	A"	86	82	1.70

Atom	x (Å)	y (Å)	z (Å)
C1	-0.969	-0.666	0.000
C2	0.000	0.503	0.000
O3	1.182	0.472	0.000
H4	-0.433	-1.620	0.000
H5	-1.607	-0.588	0.881
H6	-1.607	-0.588	-0.881

	C1	C2	O3	H4	H5	H6
C1		1.5179	2.4338	1.0940	1.0909	1.0909
C2	1.5179		1.1829	2.1664	2.1330	2.1330
O3	2.4338	1.1829		2.6436	3.1119	3.1119
H4	1.0940	2.1664	2.6436		1.7943	1.7943
H5	1.0909	2.1330	3.1119	1.7943		1.7619
H6	1.0909	2.1330	3.1119	1.7943	1.7619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.189	C2	C1	H4	111.038
C2	C1	H5	108.584	C2	C1	H6	108.584
H4	C1	H5	110.412	H4	C1	H6	110.412
H5	C1	H6	107.718

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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