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	hartrees
Energy at 0K	-152.721233
Energy at 298.15K	-152.723534
HF Energy	-152.311186
Nuclear repulsion energy	62.819225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	2984	7.51
2	A'	3130	2885	6.09
3	A'	2031	1872	163.10
4	A'	1491	1374	17.20
5	A'	1393	1284	8.34
6	A'	1080	995	16.44
7	A'	898	827	2.50
8	A'	479	442	5.55
9	A"	3242	2988	2.69
10	A"	1494	1377	10.67
11	A"	976	900	0.03
12	A"	111	102	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	-0.966	-0.672	0.000
C2	0.000	0.501	0.000
O3	1.179	0.481	0.000
H4	-0.420	-1.626	0.000
H5	-1.608	-0.596	0.887
H6	-1.608	-0.596	-0.887

	C1	C2	O3	H4	H5	H6
C1		1.5201	2.4352	1.0986	1.0970	1.0970
C2	1.5201		1.1791	2.1679	2.1391	2.1391
O3	2.4352	1.1791		2.6442	3.1163	3.1163
H4	1.0986	2.1679	2.6442		1.8045	1.8045
H5	1.0970	2.1391	3.1163	1.8045		1.7731
H6	1.0970	2.1391	3.1163	1.8045	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.450	C2	C1	H4	110.729
C2	C1	H5	108.559	C2	C1	H6	108.559
H4	C1	H5	110.539	H4	C1	H6	110.539
H5	C1	H6	107.829

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

using model chemistry: CISD/cc-pVDZ

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: CISD/cc-pVDZ

States and conformations

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