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	hartrees
Energy at 0K	-153.001466
Energy at 298.15K	-153.003732
HF Energy	-153.001466
Nuclear repulsion energy	62.901254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3010	7.40
2	A'	3067	2915	5.03
3	A'	1980	1881	134.11
4	A'	1484	1410	21.36
5	A'	1380	1312	16.29
6	A'	1067	1014	16.16
7	A'	887	843	3.97
8	A'	467	443	5.48
9	A"	3171	3013	1.25
10	A"	1480	1407	13.72
11	A"	959	912	0.35
12	A"	110	105	1.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.968	-0.656	0.000
C2	0.000	0.498	0.000
O3	1.185	0.464	0.000
H4	-0.446	-1.619	0.000
H5	-1.614	-0.575	0.880
H6	-1.614	-0.575	-0.880

	C1	C2	O3	H4	H5	H6
C1		1.5062	2.4265	1.0961	1.0946	1.0946
C2	1.5062		1.1855	2.1643	2.1283	2.1283
O3	2.4265	1.1855		2.6458	3.1120	3.1120
H4	1.0961	2.1643	2.6458		1.7973	1.7973
H5	1.0946	2.1283	3.1120	1.7973		1.7604
H6	1.0946	2.1283	3.1120	1.7973	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.320	C2	C1	H4	111.572
C2	C1	H5	108.799	C2	C1	H6	108.799
H4	C1	H5	110.251	H4	C1	H6	110.251
H5	C1	H6	107.044

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

using model chemistry: PBE1PBE/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: PBE1PBE/6-31G*

States and conformations

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