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	hartrees
Energy at 0K	-152.733198
Energy at 298.15K	-152.735441
HF Energy	-152.297022
Nuclear repulsion energy	62.883337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3009	6.38
2	A'	3109	2917	3.11
3	A'	2057	1930	150.50
4	A'	1522	1428	18.06
5	A'	1423	1335	13.28
6	A'	1093	1025	17.75
7	A'	903	847	2.55
8	A'	478	449	6.49
9	A"	3208	3010	2.20
10	A"	1520	1427	12.51
11	A"	994	932	0.01
12	A"	81	76	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.968	-0.665	0.000
C2	0.000	0.501	0.000
O3	1.181	0.472	0.000
H4	-0.431	-1.618	0.000
H5	-1.607	-0.588	0.883
H6	-1.607	-0.588	-0.883

	C1	C2	O3	H4	H5	H6
C1		1.5152	2.4312	1.0946	1.0926	1.0926
C2	1.5152		1.1819	2.1632	2.1327	2.1327
O3	2.4312	1.1819		2.6400	3.1110	3.1110
H4	1.0946	2.1632	2.6400		1.7955	1.7955
H5	1.0926	2.1327	3.1110	1.7955		1.7658
H6	1.0926	2.1327	3.1110	1.7955	1.7658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.263	C2	C1	H4	110.940
C2	C1	H5	108.650	C2	C1	H6	108.650
H4	C1	H5	110.352	H4	C1	H6	110.352
H5	C1	H6	107.812

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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