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	hartrees
Energy at 0K	-151.742053
Energy at 298.15K	-151.744284
HF Energy	-151.437043
Nuclear repulsion energy	61.848995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	769	747	7.07
2	A'	444	432	4.25
3	A"	3131	3045	2.53
4	A"	1549	1506	14.22
5	A"	1011	983	0.05
6	A"	105	102	1.88
7	A'	3129	3042	7.81
8	A'	3047	2962	3.13
9	A'	2228	2167	702.59
10	A'	1544	1502	20.63
11	A'	1438	1398	23.62
12	A'	1077	1048	26.69

Atom	x (Å)	y (Å)	z (Å)
C1	-0.984	-0.696	0.000
C2	0.000	0.496	0.000
O3	1.200	0.510	0.000
H4	-0.454	-1.658	0.000
H5	-1.621	-0.611	0.889
H6	-1.621	-0.611	-0.889

	C1	C2	O3	H4	H5	H6
C1		1.5460	2.4952	1.0979	1.0971	1.0971
C2	1.5460		1.2001	2.2011	2.1554	2.1554
O3	2.4952	1.2001		2.7268	3.1637	3.1637
H4	1.0979	2.2011	2.7268		1.8022	1.8022
H5	1.0971	2.1554	3.1637	1.8022		1.7777
H6	1.0971	2.1554	3.1637	1.8022	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	130.207	C2	C1	H4	111.593
C2	C1	H5	108.067	C2	C1	H6	108.067
H4	C1	H5	110.384	H4	C1	H6	110.384
H5	C1	H6	108.236

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

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

States and conformations

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