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	hartrees
Energy at 0K	-191.943992
Energy at 298.15K	-191.948648
HF Energy	-191.342096
Nuclear repulsion energy	111.415911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3289	3193
2	A'	3178	3085
3	A'	3175	3082
4	A'	3056	2967
5	A'	1640	1592
6	A'	1520	1475
7	A'	1490	1447
8	A'	1437	1395
9	A'	1301	1262
10	A'	1082	1050
11	A'	945	917
12	A'	837	813
13	A'	526	511
14	A'	384	373
15	A"	3124	3032
16	A"	1521	1477
17	A"	1050	1019
18	A"	693	673
19	A"	505	490
20	A"	360	350
21	A"	95	92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.144	0.000
O2	0.457	1.299	0.000
C3	-1.432	-0.074	0.000
C4	0.913	-1.069	0.000
H5	-2.093	0.788	0.000
H6	-1.864	-1.072	0.000
H7	1.953	-0.733	0.000
H8	0.729	-1.692	0.887
H9	0.729	-1.692	-0.887

	C1	O2	C3	C4	H5	H6	H7	H8	H9
C1		1.2418	1.4484	1.5188	2.1902	2.2259	2.1415	2.1657	2.1657
O2	1.2418		2.3352	2.4118	2.6013	3.3182	2.5235	3.1314	3.1314
C3	1.4484	2.3352		2.5475	1.0866	1.0880	3.4490	2.8419	2.8419
C4	1.5188	2.4118	2.5475		3.5340	2.7768	1.0936	1.0987	1.0987
H5	2.1902	2.6013	1.0866	3.5340		1.8747	4.3234	3.8609	3.8609
H6	2.2259	3.3182	1.0880	2.7768	1.8747		3.8324	2.8100	2.8100
H7	2.1415	2.5235	3.4490	1.0936	4.3234	3.8324		1.7898	1.7898
H8	2.1657	3.1314	2.8419	1.0987	3.8609	2.8100	1.7898		1.7732
H9	2.1657	3.1314	2.8419	1.0987	3.8609	2.8100	1.7898	1.7732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	118.841	C1	C3	H6	122.057
C1	C4	H7	109.036	C1	C4	H8	110.638
C1	C4	H9	110.638	O2	C1	C3	120.271
O2	C1	C4	121.444	C3	C1	C4	118.286
H5	C3	H6	119.102	H7	C4	H8	109.457
H7	C4	H9	109.457	H8	C4	H9	107.592

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

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

States and conformations

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