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	hartrees
Energy at 0K	-191.980226
Energy at 298.15K	-191.984860
HF Energy	-191.357320
Nuclear repulsion energy	110.954885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3286	3216
2	A'	3174	3106
3	A'	3160	3093
4	A'	3051	2986
5	A'	1647	1612
6	A'	1467	1436
7	A'	1452	1421
8	A'	1386	1357
9	A'	1267	1240
10	A'	1058	1036
11	A'	916	897
12	A'	827	809
13	A'	518	507
14	A'	376	368
15	A"	3131	3065
16	A"	1470	1439
17	A"	1018	996
18	A"	691	676
19	A"	500	490
20	A"	354	347
21	A"	94	92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.152	0.000
O2	0.418	1.317	0.000
C3	-1.436	-0.122	0.000
C4	0.949	-1.045	0.000
H5	-2.129	0.728	0.000
H6	-1.832	-1.145	0.000
H7	1.990	-0.684	0.000
H8	0.774	-1.675	0.892
H9	0.774	-1.675	-0.892

	C1	O2	C3	C4	H5	H6	H7	H8	H9
C1		1.2373	1.4621	1.5273	2.2049	2.2447	2.1589	2.1760	2.1760
O2	1.2373		2.3470	2.4202	2.6142	3.3352	2.5443	3.1422	3.1422
C3	1.4621	2.3470		2.5572	1.0958	1.0971	3.4723	2.8450	2.8450
C4	1.5273	2.4202	2.5572		3.5510	2.7823	1.1023	1.1065	1.1065
H5	2.2049	2.6142	1.0958	3.5510		1.8960	4.3540	3.8722	3.8722
H6	2.2447	3.3352	1.0971	2.7823	1.8960		3.8498	2.8050	2.8050
H7	2.1589	2.5443	3.4723	1.1023	4.3540	3.8498		1.8049	1.8049
H8	2.1760	3.1422	2.8450	1.1065	3.8722	2.8050	1.8049		1.7848
H9	2.1760	3.1422	2.8450	1.1065	3.8722	2.8050	1.8049	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	118.381	C1	C3	H6	121.945
C1	C4	H7	109.300	C1	C4	H8	110.395
C1	C4	H9	110.395	O2	C1	C3	120.570
O2	C1	C4	121.837	C3	C1	C4	117.593
H5	C3	H6	119.674	H7	C4	H8	109.607
H7	C4	H9	109.607	H8	C4	H9	107.513

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

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVDZ

States and conformations

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