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	hartrees
Energy at 0K	-192.554064
Energy at 298.15K	-192.560072
HF Energy	-191.960530
Nuclear repulsion energy	119.119015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3202	3030	7.46
2	A₁	3083	2918	6.39
3	A₁	1872	1772	117.55
4	A₁	1528	1446	21.40
5	A₁	1445	1367	11.41
6	A₁	1118	1058	0.03
7	A₁	819	775	0.38
8	A₁	385	364	1.15
9	A₂	3147	2979	0.00
10	A₂	1519	1438	0.00
11	A₂	926	876	0.00
12	A₂	68	64	0.00
13	B₁	3153	2985	20.48
14	B₁	1539	1456	21.53
15	B₁	1160	1098	2.72
16	B₁	495	469	0.65
17	B₁	142	134	0.00
18	B₂	3200	3029	8.62
19	B₂	3078	2913	1.83
20	B₂	1521	1439	0.33
21	B₂	1453	1375	66.11
22	B₂	1291	1221	58.11
23	B₂	933	883	2.33
24	B₂	545	516	17.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.187
O2	0.000	0.000	1.402
C3	0.000	1.289	-0.617
C4	0.000	-1.289	-0.617
H5	0.000	2.143	0.066
H6	0.000	-2.143	0.066
H7	0.884	1.335	-1.266
H8	-0.884	1.335	-1.266
H9	-0.884	-1.335	-1.266
H10	0.884	-1.335	-1.266

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2150	1.5195	1.5195	2.1460	2.1460	2.1626	2.1626	2.1626	2.1626
O2	1.2150		2.3958	2.3958	2.5252	2.5252	3.1121	3.1121	3.1121	3.1121
C3	1.5195	2.3958		2.5784	1.0929	3.4990	1.0977	1.0977	2.8443	2.8443
C4	1.5195	2.3958	2.5784		3.4990	1.0929	2.8443	2.8443	1.0977	1.0977
H5	2.1460	2.5252	1.0929	3.4990		4.2851	1.7910	1.7910	3.8275	3.8275
H6	2.1460	2.5252	3.4990	1.0929	4.2851		3.8275	3.8275	1.7910	1.7910
H7	2.1626	3.1121	1.0977	2.8443	1.7910	3.8275		1.7677	3.2024	2.6703
H8	2.1626	3.1121	1.0977	2.8443	1.7910	3.8275	1.7677		2.6703	3.2024
H9	2.1626	3.1121	2.8443	1.0977	3.8275	1.7910	3.2024	2.6703		1.7677
H10	2.1626	3.1121	2.8443	1.0977	3.8275	1.7910	2.6703	3.2024	1.7677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.373	C1	C3	H7	110.403
C1	C3	H8	110.403	C1	C4	H6	109.373
C1	C4	H9	110.403	C1	C4	H10	110.403
O2	C1	C3	121.961	O2	C1	C4	121.961
C3	C1	C4	116.078	H5	C3	H7	109.686
H5	C3	H8	109.686	H6	C4	H9	109.686
H6	C4	H10	109.686	H7	C3	H8	107.262
H9	C4	H10	107.262

All results from a given calculation for CH₃COCH₃ (Acetone)

using model chemistry: CCD/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 CH3COCH3 (Acetone)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for CH₃COCH₃ (Acetone)