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	hartrees
Energy at 0K	-191.968867
Energy at 298.15K	-191.973433
HF Energy	-191.350863
Nuclear repulsion energy	111.497644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3340	3168
2	A'	3220	3054
3	A'	3216	3051
4	A'	3095	2935
5	A'	1638	1553
6	A'	1526	1448
7	A'	1503	1426
8	A'	1437	1363
9	A'	1299	1232
10	A'	1082	1026
11	A'	944	896
12	A'	835	792
13	A'	522	495
14	A'	381	361
15	A"	3171	3008
16	A"	1529	1450
17	A"	1047	993
18	A"	684	649
19	A"	500	474
20	A"	355	337
21	A"	49	47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.145	0.000
O2	0.458	1.300	0.000
C3	-1.432	-0.074	0.000
C4	0.913	-1.071	0.000
H5	-2.088	0.785	0.000
H6	-1.860	-1.068	0.000
H7	1.948	-0.736	0.000
H8	0.728	-1.688	0.882
H9	0.728	-1.688	-0.882

	C1	O2	C3	C4	H5	H6	H7	H8	H9
C1		1.2423	1.4489	1.5199	2.1842	2.2207	2.1384	2.1603	2.1603
O2	1.2423		2.3364	2.4134	2.5976	3.3134	2.5235	3.1269	3.1269
C3	1.4489	2.3364		2.5482	1.0805	1.0823	3.4451	2.8373	2.8373
C4	1.5199	2.4134	2.5482		3.5283	2.7732	1.0881	1.0927	1.0927
H5	2.1842	2.5976	1.0805	3.5283		1.8666	4.3139	3.8501	3.8501
H6	2.2207	3.3134	1.0823	2.7732	1.8666		3.8232	2.8039	2.8039
H7	2.1384	2.5235	3.4451	1.0881	4.3139	3.8232		1.7815	1.7815
H8	2.1603	3.1269	2.8373	1.0927	3.8501	2.8039	1.7815		1.7645
H9	2.1603	3.1269	2.8373	1.0927	3.8501	2.8039	1.7815	1.7645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	118.704	C1	C3	H6	121.975
C1	C4	H7	109.035	C1	C4	H8	110.496
C1	C4	H9	110.496	O2	C1	C3	120.295
O2	C1	C4	121.468	C3	C1	C4	118.237
H5	C3	H6	119.321	H7	C4	H8	109.553
H7	C4	H9	109.553	H8	C4	H9	107.689

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

using model chemistry: CCSD(T)/6-31G**

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)/6-31G**

States and conformations

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