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	hartrees
Energy at 0K	-191.983647
Energy at 298.15K	-191.988286
HF Energy	-191.356937
Nuclear repulsion energy	111.338122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3310	3195
2	A'	3192	3081
3	A'	3180	3069
4	A'	3064	2957
5	A'	1944	1876
6	A'	1463	1412
7	A'	1451	1400
8	A'	1383	1335
9	A'	1253	1209
10	A'	1065	1028
11	A'	889	858
12	A'	817	788
13	A'	524	505
14	A'	376	363
15	A"	3151	3041
16	A"	1473	1422
17	A"	1031	995
18	A"	675	652
19	A"	520	502
20	A"	310	300
21	A"	121	117

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.170	0.000
O2	0.321	1.338	0.000
C3	-1.424	-0.237	0.000
C4	1.018	-0.967	0.000
H5	-2.185	0.550	0.000
H6	-1.729	-1.289	0.000
H7	2.036	-0.548	0.000
H8	0.873	-1.604	0.891
H9	0.873	-1.604	-0.891

	C1	O2	C3	C4	H5	H6	H7	H8	H9
C1		1.2112	1.4814	1.5268	2.2174	2.2626	2.1591	2.1692	2.1692
O2	1.2112		2.3512	2.4087	2.6269	3.3325	2.5493	3.1236	3.1236
C3	1.4814	2.3512		2.5492	1.0944	1.0952	3.4743	2.8176	2.8176
C4	1.5268	2.4087	2.5492		3.5441	2.7658	1.1010	1.1050	1.1050
H5	2.2174	2.6269	1.0944	3.5441		1.8947	4.3612	3.8447	3.8447
H6	2.2626	3.3325	1.0952	2.7658	1.8947		3.8372	2.7679	2.7679
H7	2.1591	2.5493	3.4743	1.1010	4.3612	3.8372		1.8066	1.8066
H8	2.1692	3.1236	2.8176	1.1050	3.8447	2.7679	1.8066		1.7823
H9	2.1692	3.1236	2.8176	1.1050	3.8447	2.7679	1.8066	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	118.047	C1	C3	H6	122.115
C1	C4	H7	109.430	C1	C4	H8	109.982
C1	C4	H9	109.982	O2	C1	C3	121.340
O2	C1	C4	122.804	C3	C1	C4	115.856
H5	C3	H6	119.838	H7	C4	H8	109.959
H7	C4	H9	109.959	H8	C4	H9	107.506

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

using model chemistry: MP4=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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