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	hartrees
Energy at 0K	-153.241448
Energy at 298.15K	-153.243707
HF Energy	-153.241448
Nuclear repulsion energy	63.010004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	850	820	5.58
2	A'	472	456	5.39
3	A"	3118	3011	1.50
4	A"	1457	1406	14.51
5	A"	957	924	0.08
6	A"	104	100	1.25
7	A'	3113	3005	9.04
8	A'	3022	2917	9.27
9	A'	1927	1861	159.66
10	A'	1460	1410	22.14
11	A'	1363	1316	16.43
12	A'	1053	1016	16.50

Atom	x (Å)	y (Å)	z (Å)
C1	-0.964	-0.665	0.000
C2	0.000	0.495	0.000
O3	1.180	0.476	0.000
H4	-0.437	-1.623	0.000
H5	-1.607	-0.583	0.878
H6	-1.607	-0.583	-0.878

	C1	C2	O3	H4	H5	H6
C1		1.5084	2.4287	1.0936	1.0912	1.0912
C2	1.5084		1.1799	2.1626	2.1246	2.1246
O3	2.4287	1.1799		2.6494	3.1074	3.1074
H4	1.0936	2.1626	2.6494		1.7949	1.7949
H5	1.0912	2.1246	3.1074	1.7949		1.7564
H6	1.0912	2.1246	3.1074	1.7949	1.7564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.818	C2	C1	H4	111.431
C2	C1	H5	108.570	C2	C1	H6	108.570
H4	C1	H5	110.476	H4	C1	H6	110.476
H5	C1	H6	107.189

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

using model chemistry: B3LYP/TZVP

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: B3LYP/TZVP

States and conformations

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