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	hartrees
Energy at 0K	-152.767442
Energy at 298.15K	-152.769681
HF Energy	-152.307037
Nuclear repulsion energy	62.706280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3205	2993
2	A'	3102	2897
3	A'	1944	1816
4	A'	1508	1408
5	A'	1412	1319
6	A'	1081	1010
7	A'	892	833
8	A'	477	446
9	A"	3214	3001
10	A"	1506	1407
11	A"	986	920
12	A"	79	74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.977	-0.657	0.000
C2	0.000	0.502	0.000
O3	1.191	0.461	0.000
H4	-0.442	-1.608	0.000
H5	-1.611	-0.575	0.882
H6	-1.611	-0.575	-0.882

	C1	C2	O3	H4	H5	H6
C1		1.5156	2.4390	1.0916	1.0893	1.0893
C2	1.5156		1.1917	2.1561	2.1293	2.1293
O3	2.4390	1.1917		2.6360	3.1150	3.1150
H4	1.0916	2.1561	2.6360		1.7922	1.7922
H5	1.0893	2.1293	3.1150	1.7922		1.7635
H6	1.0893	2.1293	3.1150	1.7922	1.7635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.155	C2	C1	H4	110.528
C2	C1	H5	108.546	C2	C1	H6	108.546
H4	C1	H5	110.527	H4	C1	H6	110.527
H5	C1	H6	108.091

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

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

States and conformations

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