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	hartrees
Energy at 0K	-192.165931
Energy at 298.15K	-192.159931
HF Energy	-191.341956
Nuclear repulsion energy	112.404814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3433	3433	5.17
2	A'	3321	3321	7.07
3	A'	3306	3306	10.82
4	A'	3193	3193	10.67
5	A'	1621	1621	35.98
6	A'	1613	1613	10.15
7	A'	1551	1551	8.03
8	A'	1535	1535	5.98
9	A'	1348	1348	57.20
10	A'	1145	1145	2.29
11	A'	999	999	11.68
12	A'	880	880	0.11
13	A'	560	560	18.57
14	A'	405	405	2.44
15	A"	3253	3253	23.21
16	A"	1616	1616	6.97
17	A"	1122	1122	3.17
18	A"	740	740	37.70
19	A"	545	545	0.19
20	A"	444	444	0.29
21	A"	78	78	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.141	0.000
O2	0.491	1.264	0.000
C3	-1.426	-0.012	0.000
C4	0.879	-1.094	0.000
H5	-2.045	0.869	0.000
H6	-1.895	-0.982	0.000
H7	1.922	-0.795	0.000
H8	0.685	-1.707	0.878
H9	0.685	-1.707	-0.878

	C1	O2	C3	C4	H5	H6	H7	H8	H9
C1		1.2249	1.4342	1.5160	2.1701	2.2031	2.1377	2.1581	2.1581
O2	1.2249		2.3027	2.3888	2.5662	3.2767	2.5070	3.1038	3.1038
C3	1.4342	2.3027		2.5462	1.0764	1.0775	3.4379	2.8459	2.8459
C4	1.5160	2.3888	2.5462		3.5212	2.7765	1.0842	1.0887	1.0887
H5	2.1701	2.5662	1.0764	3.5212		1.8569	4.3011	3.8542	3.8542
H6	2.2031	3.2767	1.0775	2.7765	1.8569		3.8212	2.8199	2.8199
H7	2.1377	2.5070	3.4379	1.0842	4.3011	3.8212		1.7699	1.7699
H8	2.1581	3.1038	2.8459	1.0887	3.8542	2.8199	1.7699		1.7558
H9	2.1581	3.1038	2.8459	1.0887	3.8542	2.8199	1.7699	1.7558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	118.934	C1	C3	H6	121.957
C1	C4	H7	109.476	C1	C4	H8	110.831
C1	C4	H9	110.831	O2	C1	C3	119.785
O2	C1	C4	120.916	C3	C1	C4	119.300
H5	C3	H6	119.109	H7	C4	H8	109.079
H7	C4	H9	109.079	H8	C4	H9	107.496

All results from a given calculation for CH₃COCH₂ (Acetonyl radical)

using model chemistry: CBS-Q

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 CH3COCH2 (Acetonyl radical)

using model chemistry: CBS-Q

States and conformations

All results from a given calculation for CH₃COCH₂ (Acetonyl radical)