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	hartrees
Energy at 0K	-192.173065
Energy at 298.15K
HF Energy	-191.413331
Nuclear repulsion energy	111.855524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3268	3186
2	A'	3152	3073
3	A'	3142	3063
4	A'	3027	2951
5	A'	1639	1598
6	A'	1479	1442
7	A'	1458	1422
8	A'	1378	1343
9	A'	1260	1228
10	A'	1048	1022
11	A'	903	880
12	A'	813	793
13	A'	496	483
14	A'	365	355
15	A"	3105	3026
16	A"	1477	1440
17	A"	1012	987
18	A"	693	676
19	A"	493	481
20	A"	214	208
21	A"	355i	346i

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.150	0.000
O2	0.430	1.304	0.000
C3	-1.426	-0.104	0.000
C4	0.930	-1.048	0.000
H5	-2.105	0.737	0.000
H6	-1.819	-1.112	0.000
H7	1.964	-0.707	0.000
H8	0.749	-1.668	0.881
H9	0.749	-1.668	-0.881

	C1	O2	C3	C4	H5	H6	H7	H8	H9
C1		1.2313	1.4487	1.5168	2.1856	2.2145	2.1427	2.1548	2.1548
O2	1.2313		2.3298	2.4046	2.5979	3.3012	2.5293	3.1162	3.1162
C3	1.4487	2.3298		2.5383	1.0809	1.0823	3.4431	2.8203	2.8203
C4	1.5168	2.4046	2.5383		3.5213	2.7502	1.0882	1.0925	1.0925
H5	2.1856	2.5979	1.0809	3.5213		1.8713	4.3176	3.8351	3.8351
H6	2.2145	3.3012	1.0823	2.7502	1.8713		3.8046	2.7716	2.7716
H7	2.1427	2.5293	3.4431	1.0882	4.3176	3.8046		1.7816	1.7816
H8	2.1548	3.1162	2.8203	1.0925	3.8351	2.7716	1.7816		1.7622
H9	2.1548	3.1162	2.8203	1.0925	3.8351	2.7716	1.7816	1.7622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	118.817	C1	C3	H6	121.408
C1	C4	H7	109.577	C1	C4	H8	110.289
C1	C4	H9	110.289	O2	C1	C3	120.545
O2	C1	C4	121.743	C3	C1	C4	117.712
H5	C3	H6	119.775	H7	C4	H8	109.570
H7	C4	H9	109.570	H8	C4	H9	107.516

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

using model chemistry: CCSD(T)/cc-pVTZ

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: CCSD(T)/cc-pVTZ

States and conformations

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