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	hartrees
Energy at 0K	-151.760963
Energy at 298.15K	-151.763169
HF Energy	-151.434579
Nuclear repulsion energy	61.271568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	761	726
2	A'	435	414
3	A"	3106	2962
4	A"	1539	1468
5	A"	1000	953
6	A"	103	98
7	A'	3100	2957
8	A'	3017	2878
9	A'	1676	1598
10	A'	1534	1463
11	A'	1417	1352
12	A'	1059	1010

Atom	x (Å)	y (Å)	z (Å)
C1	-1.005	-0.679	0.000
C2	0.000	0.501	0.000
O3	1.224	0.487	0.000
H4	-0.480	-1.645	0.000
H5	-1.641	-0.592	0.891
H6	-1.641	-0.592	-0.891

	C1	C2	O3	H4	H5	H6
C1		1.5501	2.5153	1.1001	1.0986	1.0986
C2	1.5501		1.2241	2.1997	2.1642	2.1642
O3	2.5153	1.2241		2.7291	3.1887	3.1887
H4	1.1001	2.1997	2.7291		1.8039	1.8039
H5	1.0986	2.1642	3.1887	1.8039		1.7826
H6	1.0986	2.1642	3.1887	1.8039	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	129.716	C2	C1	H4	111.065
C2	C1	H5	108.376	C2	C1	H6	108.376
H4	C1	H5	110.255	H4	C1	H6	110.255
H5	C1	H6	108.439

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

using model chemistry: QCISD(T)/3-21G

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)/3-21G

States and conformations

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