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	hartrees
Energy at 0K	-191.612834
Energy at 298.15K	-191.617523
HF Energy	-191.261932
Nuclear repulsion energy	111.089387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3327	3183	2.86
2	A'	3200	3061	7.01
3	A'	3197	3059	3.04
4	A'	3071	2939	2.49
5	A'	1608	1538	35.26
6	A'	1549	1482	15.09
7	A'	1491	1426	6.97
8	A'	1467	1403	31.03
9	A'	1271	1216	87.66
10	A'	1103	1055	9.90
11	A'	915	876	28.83
12	A'	827	791	1.59
13	A'	541	517	16.33
14	A'	399	381	4.18
15	A"	3151	3015	10.32
16	A"	1551	1484	12.37
17	A"	1101	1054	6.92
18	A"	699	669	43.18
19	A"	550	526	1.37
20	A"	331	317	0.11
21	A"	89	85	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.152	0.000
O2	0.421	1.316	0.000
C3	-1.438	-0.123	0.000
C4	0.947	-1.045	0.000
H5	-2.126	0.717	0.000
H6	-1.833	-1.136	0.000
H7	1.976	-0.674	0.000
H8	0.779	-1.669	0.889
H9	0.779	-1.669	-0.889

	C1	O2	C3	C4	H5	H6	H7	H8	H9
C1		1.2381	1.4639	1.5263	2.2001	2.2399	2.1420	2.1714	2.1714
O2	1.2381		2.3512	2.4191	2.6173	3.3306	2.5258	3.1356	3.1356
C3	1.4639	2.3512		2.5567	1.0860	1.0870	3.4583	2.8456	2.8456
C4	1.5263	2.4191	2.5567		3.5424	2.7810	1.0941	1.0991	1.0991
H5	2.2001	2.6173	1.0860	3.5424		1.8757	4.3320	3.8636	3.8636
H6	2.2399	3.3306	1.0870	2.7810	1.8757		3.8367	2.8103	2.8103
H7	2.1420	2.5258	3.4583	1.0941	4.3320	3.8367		1.7924	1.7924
H8	2.1714	3.1356	2.8456	1.0991	3.8636	2.8103	1.7924		1.7779
H9	2.1714	3.1356	2.8456	1.0991	3.8636	2.8103	1.7924	1.7779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	118.518	C1	C3	H6	122.128
C1	C4	H7	108.531	C1	C4	H8	110.549
C1	C4	H9	110.549	O2	C1	C3	120.726
O2	C1	C4	121.763	C3	C1	C4	117.511
H5	C3	H6	119.354	H7	C4	H8	109.621
H7	C4	H9	109.621	H8	C4	H9	107.962

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

using model chemistry: MP2/6-31G

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 CH3COCH2 (Acetonyl radical)

using model chemistry: MP2/6-31G

States and conformations

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