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	hartrees
Energy at 0K	-192.121310
Energy at 298.15K	-192.125842
HF Energy	-191.390881
Nuclear repulsion energy	111.758489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3296	3169
2	A'	3171	3049
3	A'	3168	3046
4	A'	3051	2934
5	A'	1959	1884
6	A'	1479	1422
7	A'	1465	1409
8	A'	1396	1343
9	A'	1255	1207
10	A'	1074	1032
11	A'	895	860
12	A'	811	780
13	A'	527	507
14	A'	380	365
15	A"	3129	3009
16	A"	1489	1432
17	A"	1038	998
18	A"	655	630
19	A"	515	496
20	A"	297	286
21	A"	71	68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.170	0.000
O2	0.322	1.332	0.000
C3	-1.422	-0.234	0.000
C4	1.015	-0.967	0.000
H5	-2.176	0.547	0.000
H6	-1.719	-1.279	0.000
H7	2.026	-0.552	0.000
H8	0.868	-1.598	0.886
H9	0.868	-1.598	-0.886

	C1	O2	C3	C4	H5	H6	H7	H8	H9
C1		1.2058	1.4782	1.5243	2.2080	2.2487	2.1515	2.1597	2.1597
O2	1.2058		2.3438	2.4015	2.6178	3.3145	2.5413	3.1096	3.1096
C3	1.4782	2.3438		2.5448	1.0853	1.0869	3.4631	2.8088	2.8088
C4	1.5243	2.4015	2.5448		3.5316	2.7520	1.0933	1.0973	1.0973
H5	2.2080	2.6178	1.0853	3.5316		1.8826	4.3435	3.8275	3.8275
H6	2.2487	3.3145	1.0869	2.7520	1.8826		3.8156	2.7531	2.7531
H7	2.1515	2.5413	3.4631	1.0933	4.3435	3.8156		1.7944	1.7944
H8	2.1597	3.1096	2.8088	1.0973	3.8275	2.7531	1.7944		1.7711
H9	2.1597	3.1096	2.8088	1.0973	3.8275	2.7531	1.7944	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	118.115	C1	C3	H6	121.736
C1	C4	H7	109.459	C1	C4	H8	109.870
C1	C4	H9	109.870	O2	C1	C3	121.339
O2	C1	C4	122.774	C3	C1	C4	115.887
H5	C3	H6	120.149	H7	C4	H8	110.000
H7	C4	H9	110.000	H8	C4	H9	107.619

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

using model chemistry: MP4=FULL/6-311G**

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: MP4=FULL/6-311G**

States and conformations

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