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	hartrees
Energy at 0K	-192.026333
Energy at 298.15K	-192.030997
HF Energy	-191.367972
Nuclear repulsion energy	111.216482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3294	3212
2	A'	3167	3088
3	A'	3163	3085
4	A'	3037	2962
5	A'	1919	1871
6	A'	1460	1424
7	A'	1444	1408
8	A'	1374	1340
9	A'	1256	1225
10	A'	1062	1035
11	A'	892	869
12	A'	815	795
13	A'	523	510
14	A'	375	365
15	A"	3117	3040
16	A"	1462	1426
17	A"	1023	998
18	A"	700	683
19	A"	519	507
20	A"	300	292
21	A"	134	131

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.164	0.000
O2	0.335	1.335	0.000
C3	-1.430	-0.220	0.000
C4	1.012	-0.977	0.000
H5	-2.181	0.574	0.000
H6	-1.743	-1.269	0.000
H7	2.031	-0.562	0.000
H8	0.861	-1.612	0.891
H9	0.861	-1.612	-0.891

	C1	O2	C3	C4	H5	H6	H7	H8	H9
C1		1.2180	1.4807	1.5257	2.2191	2.2561	2.1566	2.1654	2.1654
O2	1.2180		2.3524	2.4098	2.6283	3.3311	2.5450	3.1236	3.1236
C3	1.4807	2.3524		2.5568	1.0931	1.0939	3.4773	2.8243	2.8243
C4	1.5257	2.4098	2.5568		3.5501	2.7705	1.0996	1.1046	1.1046
H5	2.2191	2.6283	1.0931	3.5501		1.8939	4.3621	3.8500	3.8500
H6	2.2561	3.3311	1.0939	2.7705	1.8939		3.8389	2.7731	2.7731
H7	2.1566	2.5450	3.4773	1.0996	4.3621	3.8389		1.8068	1.8068
H8	2.1654	3.1236	2.8243	1.1046	3.8500	2.7731	1.8068		1.7826
H9	2.1654	3.1236	2.8243	1.1046	3.8500	2.7731	1.8068	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	118.347	C1	C3	H6	121.672
C1	C4	H7	109.397	C1	C4	H8	109.794
C1	C4	H9	109.794	O2	C1	C3	121.000
O2	C1	C4	122.482	C3	C1	C4	116.518
H5	C3	H6	119.981	H7	C4	H8	110.122
H7	C4	H9	110.122	H8	C4	H9	107.590

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

using model chemistry: MP4=FULL/aug-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/aug-cc-pVDZ

States and conformations

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