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	hartrees
Energy at 0K	-152.786656
Energy at 298.15K	-152.788901
HF Energy	-152.308900
Nuclear repulsion energy	62.221128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	858	818
2	A'	460	438
3	A"	3161	3013
4	A"	1453	1385
5	A"	940	896
6	A"	106	101
7	A'	3154	3006
8	A'	3045	2902
9	A'	1884	1796
10	A'	1451	1383
11	A'	1342	1279
12	A'	1037	988

Atom	x (Å)	y (Å)	z (Å)
C1	-0.980	-0.666	0.000
C2	0.000	0.512	0.000
O3	1.195	0.466	0.000
H4	-0.433	-1.628	0.000
H5	-1.625	-0.586	0.893
H6	-1.625	-0.586	-0.893

	C1	C2	O3	H4	H5	H6
C1		1.5324	2.4517	1.1065	1.1043	1.1043
C2	1.5324		1.1960	2.1840	2.1547	2.1547
O3	2.4517	1.1960		2.6527	3.1392	3.1392
H4	1.1065	2.1840	2.6527		1.8175	1.8175
H5	1.1043	2.1547	3.1392	1.8175		1.7855
H6	1.1043	2.1547	3.1392	1.8175	1.7855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.513	C2	C1	H4	110.669
C2	C1	H5	108.516	C2	C1	H6	108.516
H4	C1	H5	110.587	H4	C1	H6	110.587
H5	C1	H6	107.880

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

using model chemistry: QCISD(T)/cc-pVDZ

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)/cc-pVDZ

States and conformations

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