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	hartrees
Energy at 0K	-192.174272
Energy at 298.15K	-192.179446
HF Energy	-191.413234
Nuclear repulsion energy	111.789934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3281	3113
2	A'	3167	3004
3	A'	3160	2997
4	A'	3056	2899
5	A'	1638	1554
6	A'	1508	1430
7	A'	1462	1387
8	A'	1411	1339
9	A'	1286	1219
10	A'	1087	1032
11	A'	946	897
12	A'	834	791
13	A'	540	512
14	A'	391	371
15	A"	3117	2957
16	A"	1498	1421
17	A"	1043	989
18	A"	751	712
19	A"	520	493
20	A"	438	416
21	A"	343	325

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.150	0.000
O2	0.434	1.304	0.000
C3	-1.427	-0.101	0.000
C4	0.927	-1.051	0.000
H5	-2.105	0.741	0.000
H6	-1.824	-1.108	0.000
H7	1.962	-0.713	0.000
H8	0.746	-1.672	0.881
H9	0.746	-1.672	-0.881

	C1	O2	C3	C4	H5	H6	H7	H8	H9
C1		1.2333	1.4485	1.5171	2.1861	2.2154	2.1438	2.1564	2.1564
O2	1.2333		2.3315	2.4063	2.5999	3.3038	2.5314	3.1193	3.1193
C3	1.4485	2.3315		2.5383	1.0814	1.0822	3.4438	2.8219	2.8219
C4	1.5171	2.4063	2.5383		3.5220	2.7517	1.0885	1.0926	1.0926
H5	2.1861	2.5999	1.0814	3.5220		1.8705	4.3193	3.8373	3.8373
H6	2.2154	3.3038	1.0822	2.7517	1.8705		3.8066	2.7745	2.7745
H7	2.1438	2.5314	3.4438	1.0885	4.3193	3.8066		1.7813	1.7813
H8	2.1564	3.1193	2.8219	1.0926	3.8373	2.7745	1.7813		1.7611
H9	2.1564	3.1193	2.8219	1.0926	3.8373	2.7745	1.7813	1.7611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	118.843	C1	C3	H6	121.504
C1	C4	H7	109.629	C1	C4	H8	110.387
C1	C4	H9	110.387	O2	C1	C3	120.563
O2	C1	C4	121.730	C3	C1	C4	117.707
H5	C3	H6	119.653	H7	C4	H8	109.503
H7	C4	H9	109.503	H8	C4	H9	107.396

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

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

States and conformations

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