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	hartrees
Energy at 0K	-152.349924
Energy at 298.15K	-152.352175
HF Energy	-152.349924
Nuclear repulsion energy	62.922167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3074	3015	7.12
2	A'	2968	2911	6.64
3	A'	1926	1889	114.54
4	A'	1413	1386	25.89
5	A'	1309	1284	26.53
6	A'	1029	1010	15.37
7	A'	891	874	4.31
8	A'	448	439	4.86
9	A"	3084	3026	0.03
10	A"	1406	1379	16.77
11	A"	913	896	1.03
12	A"	126	124	3.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.969	-0.635	0.000
C2	0.000	0.495	0.000
O3	1.191	0.443	0.000
H4	-0.462	-1.619	0.000
H5	-1.625	-0.544	0.883
H6	-1.625	-0.544	-0.883

	C1	C2	O3	H4	H5	H6
C1		1.4890	2.4138	1.1065	1.1036	1.1036
C2	1.4890		1.1918	2.1642	2.1210	2.1210
O3	2.4138	1.1918		2.6425	3.1111	3.1111
H4	1.1065	2.1642	2.6425		1.8130	1.8130
H5	1.1036	2.1210	3.1111	1.8130		1.7659
H6	1.1036	2.1210	3.1111	1.8130	1.7659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	128.078	C2	C1	H4	112.145
C2	C1	H5	108.883	C2	C1	H6	108.883
H4	C1	H5	110.234	H4	C1	H6	110.234
H5	C1	H6	106.275

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

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

States and conformations

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