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	hartrees
Energy at 0K	-152.726674
Energy at 298.15K	-152.728902
HF Energy	-152.296580
Nuclear repulsion energy	62.709792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	893	845	2.94
2	A'	475	450	6.21
3	A"	3184	3013	3.11
4	A"	1513	1432	11.72
5	A"	989	936	0.00
6	A"	77	73	0.65
7	A'	3182	3012	7.33
8	A'	3084	2919	3.82
9	A'	2027	1918	140.43
10	A'	1515	1434	17.07
11	A'	1417	1341	12.07
12	A'	1086	1028	17.95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.972	-0.661	0.000
C2	0.000	0.505	0.000
O3	1.187	0.465	0.000
H4	-0.434	-1.616	0.000
H5	-1.613	-0.585	0.884
H6	-1.613	-0.585	-0.884

	C1	C2	O3	H4	H5	H6
C1		1.5187	2.4351	1.0958	1.0947	1.0947
C2	1.5187		1.1874	2.1655	2.1385	2.1385
O3	2.4351	1.1874		2.6381	3.1182	3.1182
H4	1.0958	2.1655	2.6381		1.7981	1.7981
H5	1.0947	2.1385	3.1182	1.7981		1.7687
H6	1.0947	2.1385	3.1182	1.7981	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.861	C2	C1	H4	110.809
C2	C1	H5	108.744	C2	C1	H6	108.744
H4	C1	H5	110.345	H4	C1	H6	110.345
H5	C1	H6	107.776

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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