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	hartrees
Energy at 0K	-192.043376
Energy at 298.15K	-192.047993
HF Energy	-191.390785
Nuclear repulsion energy	111.683106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3292	3192
2	A'	3168	3072
3	A'	3165	3069
4	A'	3048	2956
5	A'	1958	1898
6	A'	1483	1438
7	A'	1462	1418
8	A'	1397	1354
9	A'	1255	1217
10	A'	1074	1041
11	A'	896	869
12	A'	809	785
13	A'	529	513
14	A'	376	365
15	A"	3126	3031
16	A"	1490	1445
17	A"	1038	1006
18	A"	654	634
19	A"	515	500
20	A"	302	293
21	A"	116	113

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.171	0.000
O2	0.321	1.334	0.000
C3	-1.423	-0.235	0.000
C4	1.017	-0.967	0.000
H5	-2.178	0.545	0.000
H6	-1.720	-1.280	0.000
H7	2.028	-0.552	0.000
H8	0.869	-1.598	0.886
H9	0.869	-1.598	-0.886

	C1	O2	C3	C4	H5	H6	H7	H8	H9
C1		1.2063	1.4795	1.5260	2.2102	2.2506	2.1531	2.1609	2.1609
O2	1.2063		2.3455	2.4037	2.6209	3.3166	2.5434	3.1114	3.1114
C3	1.4795	2.3455		2.5470	1.0858	1.0869	3.4655	2.8101	2.8101
C4	1.5260	2.4037	2.5470		3.5347	2.7548	1.0935	1.0974	1.0974
H5	2.2102	2.6209	1.0858	3.5347		1.8818	4.3472	3.8295	3.8295
H6	2.2506	3.3166	1.0869	2.7548	1.8818		3.8187	2.7552	2.7552
H7	2.1531	2.5434	3.4655	1.0935	4.3472	3.8187		1.7952	1.7952
H8	2.1609	3.1114	2.8101	1.0974	3.8295	2.7552	1.7952		1.7711
H9	2.1609	3.1114	2.8101	1.0974	3.8295	2.7552	1.7952	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	118.176	C1	C3	H6	121.805
C1	C4	H7	109.451	C1	C4	H8	109.839
C1	C4	H9	109.839	O2	C1	C3	121.353
O2	C1	C4	122.787	C3	C1	C4	115.861
H5	C3	H6	120.019	H7	C4	H8	110.045
H7	C4	H9	110.045	H8	C4	H9	107.600

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

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

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: MP4/6-311G**

States and conformations

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