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	hartrees
Energy at 0K	-192.021610
Energy at 298.15K
HF Energy	-191.367764
Nuclear repulsion energy	110.759143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3265	3192
2	A'	3144	3074
3	A'	3140	3071
4	A'	3022	2955
5	A'	1597	1561
6	A'	1463	1431
7	A'	1446	1414
8	A'	1376	1345
9	A'	1268	1240
10	A'	1051	1027
11	A'	915	895
12	A'	823	805
13	A'	513	501
14	A'	373	365
15	A"	3097	3028
16	A"	1459	1427
17	A"	1007	984
18	A"	711	695
19	A"	489	478
20	A"	318	311
21	A"	20i	20i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.146	0.000
O2	0.437	1.314	0.000
C3	-1.440	-0.100	0.000
C4	0.938	-1.059	0.000
H5	-2.120	0.758	0.000
H6	-1.849	-1.117	0.000
H7	1.982	-0.710	0.000
H8	0.754	-1.685	0.893
H9	0.754	-1.685	-0.893

	C1	O2	C3	C4	H5	H6	H7	H8	H9
C1		1.2466	1.4611	1.5269	2.2069	2.2392	2.1593	2.1723	2.1723
O2	1.2466		2.3500	2.4249	2.6168	3.3366	2.5463	3.1452	3.1452
C3	1.4611	2.3500		2.5640	1.0951	1.0959	3.4765	2.8499	2.8499
C4	1.5269	2.4249	2.5640		3.5572	2.7873	1.1014	1.1060	1.1060
H5	2.2069	2.6168	1.0951	3.5572		1.8947	4.3574	3.8764	3.8764
H6	2.2392	3.3366	1.0959	2.7873	1.8947		3.8528	2.8092	2.8092
H7	2.1593	2.5463	3.4765	1.1014	4.3574	3.8528		1.8052	1.8052
H8	2.1723	3.1452	2.8499	1.1060	3.8764	2.8092	1.8052		1.7851
H9	2.1723	3.1452	2.8499	1.1060	3.8764	2.8092	1.8052	1.7851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	118.686	C1	C3	H6	121.601
C1	C4	H7	109.417	C1	C4	H8	110.165
C1	C4	H9	110.165	O2	C1	C3	120.216
O2	C1	C4	121.598	C3	C1	C4	118.186
H5	C3	H6	119.713	H7	C4	H8	109.732
H7	C4	H9	109.732	H8	C4	H9	107.608

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

using model chemistry: QCISD(T)/aug-cc-pVDZ

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: QCISD(T)/aug-cc-pVDZ

States and conformations

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