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	hartrees
Energy at 0K	-191.917013
Energy at 298.15K	-191.921502
HF Energy	-191.355821
Nuclear repulsion energy	112.099692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3392	3190	2.13
2	A'	3270	3076	5.17
3	A'	3256	3063	0.69
4	A'	3125	2939	0.71
5	A'	2096	1971	1072.42
6	A'	1515	1425	11.95
7	A'	1502	1413	32.05
8	A'	1430	1345	45.90
9	A'	1292	1215	100.94
10	A'	1098	1033	8.66
11	A'	918	863	16.11
12	A'	831	782	1.43
13	A'	538	506	15.72
14	A'	388	365	2.09
15	A"	3215	3024	4.95
16	A"	1516	1426	10.69
17	A"	1056	993	6.40
18	A"	638	600	45.43
19	A"	521	490	5.68
20	A"	230	216	0.01
21	A"	83	78	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.166	0.000
O2	0.310	1.333	0.000
C3	-1.418	-0.250	0.000
C4	1.022	-0.950	0.000
H5	-2.173	0.519	0.000
H6	-1.707	-1.290	0.000
H7	2.020	-0.524	0.000
H8	0.880	-1.579	0.880
H9	0.880	-1.579	-0.880

	C1	O2	C3	C4	H5	H6	H7	H8	H9
C1		1.2073	1.4773	1.5131	2.2018	2.2434	2.1342	2.1431	2.1431
O2	1.2073		2.3426	2.3916	2.6125	3.3083	2.5244	3.0949	3.0949
C3	1.4773	2.3426		2.5377	1.0785	1.0796	3.4481	2.7962	2.7962
C4	1.5131	2.3916	2.5377		3.5167	2.7495	1.0853	1.0907	1.0907
H5	2.2018	2.6125	1.0785	3.5167		1.8688	4.3208	3.8078	3.8078
H6	2.2434	3.3083	1.0796	2.7495	1.8688		3.8044	2.7475	2.7475
H7	2.1342	2.5244	3.4481	1.0853	4.3208	3.8044		1.7851	1.7851
H8	2.1431	3.0949	2.7962	1.0907	3.8078	2.7475	1.7851		1.7599
H9	2.1431	3.0949	2.7962	1.0907	3.8078	2.7475	1.7851	1.7599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	118.131	C1	C3	H6	121.892
C1	C4	H7	109.342	C1	C4	H8	109.721
C1	C4	H9	109.721	O2	C1	C3	121.203
O2	C1	C4	122.677	C3	C1	C4	116.120
H5	C3	H6	119.977	H7	C4	H8	110.236
H7	C4	H9	110.236	H8	C4	H9	107.562

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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