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	hartrees
Energy at 0K	-152.278437
Energy at 298.15K	-152.280646
HF Energy	-152.278437
Nuclear repulsion energy	62.183670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3008	5.35
2	A'	3083	2922	3.36
3	A'	1886	1788	88.33
4	A'	1523	1444	26.62
5	A'	1426	1351	32.69
6	A'	1078	1021	17.26
7	A'	824	781	6.24
8	A'	444	421	4.35
9	A"	3177	3011	0.24
10	A"	1527	1447	21.34
11	A"	1003	950	1.62
12	A"	87	83	2.96

Atom	x (Å)	y (Å)	z (Å)
C1	-0.979	-0.681	0.000
C2	0.000	0.488	0.000
O3	1.197	0.500	0.000
H4	-0.457	-1.644	0.000
H5	-1.620	-0.599	0.883
H6	-1.620	-0.599	-0.883

	C1	C2	O3	H4	H5	H6
C1		1.5252	2.4758	1.0958	1.0937	1.0937
C2	1.5252		1.1967	2.1803	2.1413	2.1413
O3	2.4758	1.1967		2.7070	3.1495	3.1495
H4	1.0958	2.1803	2.7070		1.7956	1.7956
H5	1.0937	2.1413	3.1495	1.7956		1.7660
H6	1.0937	2.1413	3.1495	1.7956	1.7660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	130.516	C2	C1	H4	111.536
C2	C1	H5	108.579	C2	C1	H6	108.579
H4	C1	H5	110.187	H4	C1	H6	110.187
H5	C1	H6	107.667

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

using model chemistry: wB97X-D/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: wB97X-D/3-21G*

States and conformations

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