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	hartrees
Energy at 0K	-153.169140
Energy at 298.15K	-153.171236
HF Energy	-153.169140
Nuclear repulsion energy	63.074749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	3008	8.91
2	A'	3044	2912	7.73
3	A'	1978	1892	159.94
4	A'	1458	1395	20.48
5	A'	1355	1296	18.35
6	A'	1054	1008	15.67
7	A'	862	824	5.00
8	A'	474	453	5.87
9	A"	3151	3014	2.20
10	A"	1458	1395	15.21
11	A"	947	906	0.01
12	A"	16	16	1.27

Atom	x (Å)	y (Å)	z (Å)
C1	-0.961	-0.668	0.000
C2	0.000	0.500	0.000
O3	1.174	0.476	0.000
H4	-0.424	-1.621	0.000
H5	-1.601	-0.589	0.881
H6	-1.601	-0.589	-0.881

	C1	C2	O3	H4	H5	H6
C1		1.5125	2.4221	1.0944	1.0913	1.0913
C2	1.5125		1.1743	2.1632	2.1272	2.1272
O3	2.4221	1.1743		2.6362	3.0998	3.0998
H4	1.0944	2.1632	2.6362		1.7961	1.7961
H5	1.0913	2.1272	3.0998	1.7961		1.7617
H6	1.0913	2.1272	3.0998	1.7961	1.7617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.262	C2	C1	H4	111.134
C2	C1	H5	108.471	C2	C1	H6	108.471
H4	C1	H5	110.512	H4	C1	H6	110.512
H5	C1	H6	107.636

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

using model chemistry: wB97X-D/6-311G**

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: wB97X-D/6-311G**

States and conformations

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