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	hartrees
Energy at 0K	-151.752228
Energy at 298.15K	-151.754441
HF Energy	-151.434607
Nuclear repulsion energy	61.314564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	779	749	10.66
2	A'	437	420	4.74
3	A"	3119	2997	4.19
4	A"	1546	1486	11.93
5	A"	1009	970	0.35
6	A"	105	101	0.91
7	A'	3111	2990	7.91
8	A'	3032	2914	5.67
9	A'	1553	1493	18.28
10	A'	1497	1439	5.21
11	A'	1407	1352	3.15
12	A'	1070	1028	13.24

Atom	x (Å)	y (Å)	z (Å)
C1	-1.006	-0.673	0.000
C2	0.000	0.499	0.000
O3	1.226	0.482	0.000
H4	-0.483	-1.639	0.000
H5	-1.642	-0.588	0.890
H6	-1.642	-0.588	-0.890

	C1	C2	O3	H4	H5	H6
C1		1.5448	2.5130	1.0992	1.0976	1.0976
C2	1.5448		1.2259	2.1924	2.1616	2.1616
O3	2.5130	1.2259		2.7236	3.1880	3.1880
H4	1.0992	2.1924	2.7236		1.8007	1.8007
H5	1.0976	2.1616	3.1880	1.8007		1.7809
H6	1.0976	2.1616	3.1880	1.8007	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	129.826	C2	C1	H4	110.908
C2	C1	H5	108.596	C2	C1	H6	108.596
H4	C1	H5	110.116	H4	C1	H6	110.116
H5	C1	H6	108.447

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

using model chemistry: QCISD/3-21G*

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: QCISD/3-21G*

States and conformations

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