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	hartrees
Energy at 0K	-152.538479
Energy at 298.15K	-152.540699
HF Energy	-152.218197
Nuclear repulsion energy	61.369877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	862	830	9.39
2	A'	460	443	7.59
3	A"	3111	2997	6.98
4	A"	1517	1462	11.98
5	A"	1006	969	0.05
6	A"	82	79	0.36
7	A'	3100	2988	10.50
8	A'	3012	2903	8.21
9	A'	1537	1481	16.19
10	A'	1507	1453	2.99
11	A'	1425	1373	6.58
12	A'	1097	1057	17.55

Atom	x (Å)	y (Å)	z (Å)
C1	-1.011	-0.642	0.000
C2	0.000	0.506	0.000
O3	1.233	0.444	0.000
H4	-0.496	-1.617	0.000
H5	-1.652	-0.560	0.891
H6	-1.652	-0.560	-0.891

	C1	C2	O3	H4	H5	H6
C1		1.5295	2.4936	1.1032	1.1009	1.1009
C2	1.5295		1.2350	2.1804	2.1588	2.1588
O3	2.4936	1.2350		2.6912	3.1830	3.1830
H4	1.1032	2.1804	2.6912		1.8026	1.8026
H5	1.1009	2.1588	3.1830	1.8026		1.7822
H6	1.1009	2.1588	3.1830	1.8026	1.7822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.535	C2	C1	H4	110.790
C2	C1	H5	109.232	C2	C1	H6	109.232
H4	C1	H5	109.733	H4	C1	H6	109.733
H5	C1	H6	108.071

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

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

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