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	hartrees
Energy at 0K	-152.764221
Energy at 298.15K	-152.766492
HF Energy	-152.310464
Nuclear repulsion energy	62.556470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	877	839	3.12
2	A'	469	449	4.94
3	A"	3186	3048	2.79
4	A"	1465	1402	9.96
5	A"	956	914	0.10
6	A"	108	103	0.87
7	A'	3180	3043	7.75
8	A'	3072	2939	6.33
9	A'	2010	1923	141.57
10	A'	1463	1400	15.88
11	A'	1362	1303	7.82
12	A'	1053	1007	17.25

Atom	x (Å)	y (Å)	z (Å)
C1	-0.969	-0.674	0.000
C2	0.000	0.507	0.000
O3	1.183	0.479	0.000
H4	-0.421	-1.633	0.000
H5	-1.614	-0.598	0.891
H6	-1.614	-0.598	-0.891

	C1	C2	O3	H4	H5	H6
C1		1.5284	2.4419	1.1044	1.1026	1.1026
C2	1.5284		1.1835	2.1810	2.1497	2.1497
O3	2.4419	1.1835		2.6514	3.1270	3.1270
H4	1.1044	2.1810	2.6514		1.8138	1.8138
H5	1.1026	2.1497	3.1270	1.8138		1.7822
H6	1.1026	2.1497	3.1270	1.8138	1.7822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	127.974	C2	C1	H4	110.839
C2	C1	H5	108.498	C2	C1	H6	108.498
H4	C1	H5	110.540	H4	C1	H6	110.540
H5	C1	H6	107.834

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

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

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