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	hartrees
Energy at 0K	-192.475263
Energy at 298.15K	-192.481297
HF Energy	-191.961676
Nuclear repulsion energy	119.734566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	3029	7.58
2	A₁	3160	2919	6.19
3	A₁	1932	1785	159.27
4	A₁	1562	1443	22.91
5	A₁	1484	1371	11.58
6	A₁	1146	1059	0.01
7	A₁	837	773	0.21
8	A₁	392	363	1.25
9	A₂	3222	2976	0.00
10	A₂	1555	1437	0.00
11	A₂	945	873	0.00
12	A₂	52	48	0.00
13	B₁	3229	2982	21.16
14	B₁	1576	1456	21.93
15	B₁	1191	1100	3.38
16	B₁	510	472	1.09
17	B₁	140	129	0.00
18	B₂	3278	3028	8.69
19	B₂	3154	2913	1.67
20	B₂	1555	1437	0.22
21	B₂	1494	1380	67.02
22	B₂	1320	1219	61.76
23	B₂	955	882	2.38
24	B₂	558	515	19.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.183
O2	0.000	0.000	1.391
C3	0.000	1.285	-0.611
C4	0.000	-1.285	-0.611
H5	0.000	2.133	0.068
H6	0.000	-2.133	0.068
H7	0.878	1.332	-1.257
H8	-0.878	1.332	-1.257
H9	-0.878	-1.332	-1.257
H10	0.878	-1.332	-1.257

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2082	1.5107	1.5107	2.1359	2.1359	2.1487	2.1487	2.1487	2.1487
O2	1.2082		2.3791	2.3791	2.5097	2.5097	3.0910	3.0910	3.0910	3.0910
C3	1.5107	2.3791		2.5709	1.0859	3.4851	1.0908	1.0908	2.8354	2.8354
C4	1.5107	2.3791	2.5709		3.4851	1.0859	2.8354	2.8354	1.0908	1.0908
H5	2.1359	2.5097	1.0859	3.4851		4.2656	1.7795	1.7795	3.8120	3.8120
H6	2.1359	2.5097	3.4851	1.0859	4.2656		3.8120	3.8120	1.7795	1.7795
H7	2.1487	3.0910	1.0908	2.8354	1.7795	3.8120		1.7562	3.1910	2.6643
H8	2.1487	3.0910	1.0908	2.8354	1.7795	3.8120	1.7562		2.6643	3.1910
H9	2.1487	3.0910	2.8354	1.0908	3.8120	1.7795	3.1910	2.6643		1.7562
H10	2.1487	3.0910	2.8354	1.0908	3.8120	1.7795	2.6643	3.1910	1.7562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.598	C1	C3	H7	110.322
C1	C3	H8	110.322	C1	C4	H6	109.598
C1	C4	H9	110.322	C1	C4	H10	110.322
O2	C1	C3	121.693	O2	C1	C4	121.693
C3	C1	C4	116.615	H5	C3	H7	109.673
H5	C3	H8	109.673	H6	C4	H9	109.673
H6	C4	H10	109.673	H7	C3	H8	107.220
H9	C4	H10	107.220

All results from a given calculation for CH₃COCH₃ (Acetone)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for CH₃COCH₃ (Acetone)