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	hartrees
Energy at 0K	-152.746578
Energy at 298.15K	-152.748819
HF Energy	-152.302064
Nuclear repulsion energy	62.918702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3022	8.04
2	A'	3143	2925	3.77
3	A'	2052	1910	147.99
4	A'	1526	1420	15.32
5	A'	1421	1322	8.56
6	A'	1088	1012	18.53
7	A'	900	837	2.49
8	A'	477	444	6.39
9	A"	3248	3022	3.53
10	A"	1527	1421	9.67
11	A"	988	919	0.04
12	A"	77	72	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.969	-0.664	0.000
C2	0.000	0.503	0.000
O3	1.182	0.469	0.000
H4	-0.436	-1.614	0.000
H5	-1.604	-0.587	0.879
H6	-1.604	-0.587	-0.879

	C1	C2	O3	H4	H5	H6
C1		1.5163	2.4309	1.0892	1.0871	1.0871
C2	1.5163		1.1823	2.1611	2.1287	2.1287
O3	2.4309	1.1823		2.6380	3.1062	3.1062
H4	1.0892	2.1611	2.6380		1.7866	1.7866
H5	1.0871	2.1287	3.1062	1.7866		1.7573
H6	1.0871	2.1287	3.1062	1.7866	1.7573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.094	C2	C1	H4	111.029
C2	C1	H5	108.578	C2	C1	H6	108.578
H4	C1	H5	110.360	H4	C1	H6	110.360
H5	C1	H6	107.850

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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