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	hartrees
Energy at 0K	-152.710767
Energy at 298.15K	-152.712986
HF Energy	-152.295559
Nuclear repulsion energy	62.586985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3034	5.55
2	A'	3111	2934	2.69
3	A'	1975	1862	144.27
4	A'	1525	1438	18.47
5	A'	1419	1338	15.15
6	A'	1091	1028	21.96
7	A'	896	845	3.93
8	A'	468	441	6.08
9	A"	3220	3037	1.34
10	A"	1524	1437	12.35
11	A"	989	933	0.01
12	A"	73	69	1.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.976	-0.657	0.000
C2	0.000	0.504	0.000
O3	1.192	0.461	0.000
H4	-0.449	-1.617	0.000
H5	-1.615	-0.576	0.882
H6	-1.615	-0.576	-0.882

	C1	C2	O3	H4	H5	H6
C1		1.5171	2.4398	1.0947	1.0921	1.0921
C2	1.5171		1.1929	2.1679	2.1334	2.1334
O3	2.4398	1.1929		2.6480	3.1196	3.1196
H4	1.0947	2.1679	2.6480		1.7947	1.7947
H5	1.0921	2.1334	3.1196	1.7947		1.7645
H6	1.0921	2.1334	3.1196	1.7947	1.7645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.992	C2	C1	H4	111.173
C2	C1	H5	108.601	C2	C1	H6	108.601
H4	C1	H5	110.304	H4	C1	H6	110.304
H5	C1	H6	107.765

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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