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	hartrees
Energy at 0K	-151.715362
Energy at 298.15K	-151.717627
HF Energy	-151.437787
Nuclear repulsion energy	62.126552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	2969	6.46
2	A'	3105	2893	3.18
3	A'	2163	2015	468.76
4	A'	1568	1461	22.12
5	A'	1467	1367	24.16
6	A'	1102	1027	24.71
7	A'	803	748	5.23
8	A'	454	423	4.68
9	A"	3189	2971	1.92
10	A"	1573	1465	15.47
11	A"	1031	960	0.16
12	A"	108	101	1.53

Atom	x (Å)	y (Å)	z (Å)
C1	-0.980	-0.692	0.000
C2	0.000	0.489	0.000
O3	1.196	0.511	0.000
H4	-0.454	-1.650	0.000
H5	-1.616	-0.609	0.885
H6	-1.616	-0.609	-0.885

	C1	C2	O3	H4	H5	H6
C1		1.5347	2.4865	1.0933	1.0924	1.0924
C2	1.5347		1.1961	2.1864	2.1446	2.1446
O3	2.4865	1.1961		2.7184	3.1533	3.1533
H4	1.0933	2.1864	2.7184		1.7934	1.7934
H5	1.0924	2.1446	3.1533	1.7934		1.7693
H6	1.0924	2.1446	3.1533	1.7934	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	130.752	C2	C1	H4	111.496
C2	C1	H5	108.268	C2	C1	H6	108.268
H4	C1	H5	110.276	H4	C1	H6	110.276
H5	C1	H6	108.160

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

using model chemistry: CID/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: CID/3-21G

States and conformations

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