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	hartrees
Energy at 0K	-190.676395
Energy at 298.15K	-190.681009
HF Energy	-190.274236
Nuclear repulsion energy	110.790355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3265	3196
2	A'	3150	3083
3	A'	3138	3071
4	A'	3037	2972
5	A'	1554	1521
6	A'	1542	1510
7	A'	1460	1429
8	A'	1437	1407
9	A'	1204	1178
10	A'	1081	1058
11	A'	873	854
12	A'	767	751
13	A'	509	498
14	A'	391	383
15	A"	3103	3037
16	A"	1560	1527
17	A"	1091	1068
18	A"	740	725
19	A"	555	543
20	A"	391	383
21	A"	39	38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.164	0.000
O2	0.451	1.324	0.000
C3	-1.430	-0.102	0.000
C4	0.917	-1.077	0.000
H5	-2.124	0.734	0.000
H6	-1.819	-1.117	0.000
H7	1.958	-0.735	0.000
H8	0.728	-1.691	0.893
H9	0.728	-1.691	-0.893

	C1	O2	C3	C4	H5	H6	H7	H8	H9
C1		1.2442	1.4548	1.5432	2.1989	2.2254	2.1546	2.1838	2.1838
O2	1.2442		2.3605	2.4457	2.6412	3.3337	2.5513	3.1564	3.1564
C3	1.4548	2.3605		2.5415	1.0867	1.0872	3.4469	2.8249	2.8249
C4	1.5432	2.4457	2.5415		3.5393	2.7367	1.0961	1.0996	1.0996
H5	2.1989	2.6412	1.0867	3.5393		1.8765	4.3382	3.8488	3.8488
H6	2.2254	3.3337	1.0872	2.7367	1.8765		3.7970	2.7600	2.7600
H7	2.1546	2.5513	3.4469	1.0961	4.3382	3.7970		1.7954	1.7954
H8	2.1838	3.1564	2.8249	1.0996	3.8488	2.7600	1.7954		1.7852
H9	2.1838	3.1564	2.8249	1.0996	3.8488	2.7600	1.7954	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	119.106	C1	C3	H6	121.534
C1	C4	H7	108.250	C1	C4	H8	110.315
C1	C4	H9	110.315	O2	C1	C3	121.800
O2	C1	C4	122.298	C3	C1	C4	115.901
H5	C3	H6	119.361	H7	C4	H8	109.708
H7	C4	H9	109.708	H8	C4	H9	108.539

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

using model chemistry: MP4=FULL/3-21G

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: MP4=FULL/3-21G

States and conformations

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