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	hartrees
Energy at 0K	-152.684435
Energy at 298.15K	-152.686695
HF Energy	-152.297351
Nuclear repulsion energy	62.987544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	2997	6.98
2	A'	3147	2907	3.61
3	A'	2066	1908	159.71
4	A'	1543	1426	17.82
5	A'	1448	1338	12.13
6	A'	1111	1026	17.46
7	A'	912	842	2.37
8	A'	486	448	6.76
9	A"	3245	2998	2.98
10	A"	1543	1425	12.10
11	A"	1009	932	0.01
12	A"	82	75	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	-0.967	-0.663	0.000
C2	0.000	0.500	0.000
O3	1.180	0.471	0.000
H4	-0.430	-1.612	0.000
H5	-1.605	-0.589	0.880
H6	-1.605	-0.589	-0.880

	C1	C2	O3	H4	H5	H6
C1		1.5127	2.4285	1.0905	1.0894	1.0894
C2	1.5127		1.1806	2.1558	2.1298	2.1298
O3	2.4285	1.1806		2.6334	3.1073	3.1073
H4	1.0905	2.1558	2.6334		1.7893	1.7893
H5	1.0894	2.1298	3.1073	1.7893		1.7602
H6	1.0894	2.1298	3.1073	1.7893	1.7602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.335	C2	C1	H4	110.774
C2	C1	H5	108.778	C2	C1	H6	108.778
H4	C1	H5	110.331	H4	C1	H6	110.331
H5	C1	H6	107.774

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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