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	hartrees
Energy at 0K	-152.759686
Energy at 298.15K	-152.761914
HF Energy	-152.300778
Nuclear repulsion energy	62.577177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	885	833	3.25
2	A'	470	443	5.59
3	A"	3215	3027	5.38
4	A"	1521	1432	8.44
5	A"	982	924	0.03
6	A"	78	73	0.36
7	A'	3213	3025	10.08
8	A'	3111	2929	5.79
9	A'	1908	1796	92.42
10	A'	1520	1430	14.20
11	A'	1414	1331	6.73
12	A'	1082	1018	14.91

Atom	x (Å)	y (Å)	z (Å)
C1	-0.980	-0.653	0.000
C2	0.000	0.508	0.000
O3	1.195	0.453	0.000
H4	-0.448	-1.605	0.000
H5	-1.616	-0.575	0.881
H6	-1.616	-0.575	-0.881

	C1	C2	O3	H4	H5	H6
C1		1.5197	2.4400	1.0904	1.0892	1.0892
C2	1.5197		1.1963	2.1603	2.1355	2.1355
O3	2.4400	1.1963		2.6333	3.1199	3.1199
H4	1.0904	2.1603	2.6333		1.7892	1.7892
H5	1.0892	2.1355	3.1199	1.7892		1.7612
H6	1.0892	2.1355	3.1199	1.7892	1.7612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.491	C2	C1	H4	110.647
C2	C1	H5	108.759	C2	C1	H6	108.759
H4	C1	H5	110.352	H4	C1	H6	110.352
H5	C1	H6	107.902

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)