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	hartrees
Energy at 0K	-153.020565
Energy at 298.15K	-153.022814
HF Energy	-152.880802
Nuclear repulsion energy	62.630843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3014	8.69
2	A'	3081	2925	5.43
3	A'	1909	1812	95.33
4	A'	1510	1433	18.21
5	A'	1404	1332	10.60
6	A'	1075	1021	15.39
7	A'	874	830	4.43
8	A'	466	442	5.34
9	A"	3179	3018	2.94
10	A"	1508	1431	11.10
11	A"	978	928	0.05
12	A"	99	94	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.976	-0.654	0.000
C2	0.000	0.506	0.000
O3	1.193	0.456	0.000
H4	-0.450	-1.613	0.000
H5	-1.617	-0.574	0.881
H6	-1.617	-0.574	-0.881

	C1	C2	O3	H4	H5	H6
C1		1.5160	2.4362	1.0940	1.0925	1.0925
C2	1.5160		1.1938	2.1666	2.1349	2.1349
O3	2.4362	1.1938		2.6420	3.1197	3.1197
H4	1.0940	2.1666	2.6420		1.7941	1.7941
H5	1.0925	2.1349	3.1197	1.7941		1.7615
H6	1.0925	2.1349	3.1197	1.7941	1.7615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.664	C2	C1	H4	111.190
C2	C1	H5	108.772	C2	C1	H6	108.772
H4	C1	H5	110.281	H4	C1	H6	110.281
H5	C1	H6	107.448

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

using model chemistry: B2PLYP/6-31G*

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: B2PLYP/6-31G*

States and conformations

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