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	hartrees
Energy at 0K	-152.761058
Energy at 298.15K	-152.763297
HF Energy	-152.307525
Nuclear repulsion energy	62.815913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	894	843	2.74
2	A'	478	451	6.55
3	A"	3224	3038	2.37
4	A"	1510	1423	12.17
5	A"	989	932	0.62
6	A"	77	72	0.47
7	A'	3217	3031	7.32
8	A'	3112	2933	5.80
9	A'	2005	1889	170.18
10	A'	1511	1424	18.70
11	A'	1417	1335	10.01
12	A'	1084	1022	19.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.973	-0.661	0.000
C2	0.000	0.501	0.000
O3	1.186	0.467	0.000
H4	-0.439	-1.613	0.000
H5	-1.607	-0.580	0.881
H6	-1.607	-0.580	-0.881

	C1	C2	O3	H4	H5	H6
C1		1.5156	2.4360	1.0908	1.0888	1.0888
C2	1.5156		1.1867	2.1585	2.1278	2.1278
O3	2.4360	1.1867		2.6390	3.1106	3.1106
H4	1.0908	2.1585	2.6390		1.7912	1.7912
H5	1.0888	2.1278	3.1106	1.7912		1.7618
H6	1.0888	2.1278	3.1106	1.7912	1.7618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.280	C2	C1	H4	110.762
C2	C1	H5	108.458	C2	C1	H6	108.458
H4	C1	H5	110.533	H4	C1	H6	110.533
H5	C1	H6	108.011

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

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

States and conformations

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