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	hartrees
Energy at 0K	-192.619529
Energy at 298.15K	-192.625488
HF Energy	-191.987579
Nuclear repulsion energy	118.608133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3196	3196	4.80	59.08	0.61	0.76
2	A	3140	3140	0.00	9.25	0.75	0.86
3	A	3062	3062	7.21	321.85	0.00	0.00
4	A	1737	1737	126.40	14.32	0.53	0.69
5	A	1459	1459	29.17	13.79	0.59	0.74
6	A	1457	1457	0.04	8.36	0.75	0.86
7	A	1368	1368	12.33	0.71	0.71	0.83
8	A	1071	1071	0.02	2.14	0.16	0.28
9	A	872	872	0.00	0.28	0.75	0.86
10	A	807	807	1.44	18.10	0.09	0.16
11	A	378	378	1.19	0.56	0.73	0.85
12	A	59	59	0.00	0.16	0.75	0.86
13	B	3196	3196	10.04	46.40	0.75	0.86
14	B	3147	3147	15.00	88.64	0.75	0.86
15	B	3058	3058	1.55	0.80	0.75	0.86
16	B	1481	1481	18.52	0.01	0.75	0.86
17	B	1451	1451	0.09	0.68	0.75	0.86
18	B	1383	1383	70.76	0.12	0.75	0.86
19	B	1249	1249	42.77	4.65	0.75	0.86
20	B	1099	1099	1.11	0.12	0.75	0.86
21	B	894	894	4.15	1.39	0.75	0.86
22	B	528	528	14.43	1.31	0.75	0.86
23	B	485	485	0.53	0.33	0.75	0.86
24	B	149	149	0.12	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.182
O2	0.000	0.000	1.412
C3	0.000	1.290	-0.618
C4	0.000	-1.290	-0.618
H5	-0.003	2.153	0.059
H6	0.003	-2.153	0.059
H7	0.888	1.327	-1.270
H8	-0.885	1.325	-1.274
H9	-0.888	-1.327	-1.270
H10	0.885	-1.325	-1.274

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2300	1.5182	1.5182	2.1567	2.1567	2.1582	2.1581	2.1582	2.1581
O2	1.2300		2.4053	2.4053	2.5429	2.5429	3.1213	3.1228	3.1213	3.1228
C3	1.5182	2.4053		2.5808	1.0967	3.5095	1.1021	1.1022	2.8398	2.8375
C4	1.5182	2.4053	2.5808		3.5095	1.0967	2.8398	2.8375	1.1021	1.1022
H5	2.1567	2.5429	1.0967	3.5095		4.3063	1.8007	1.8005	3.8291	3.8288
H6	2.1567	2.5429	3.5095	1.0967	4.3063		3.8291	3.8288	1.8007	1.8005
H7	2.1582	3.1213	1.1021	2.8398	1.8007	3.8291		1.7727	3.1932	2.6516
H8	2.1581	3.1228	1.1022	2.8375	1.8005	3.8288	1.7727		2.6516	3.1859
H9	2.1582	3.1213	2.8398	1.1021	3.8291	1.8007	3.1932	2.6516		1.7727
H10	2.1581	3.1228	2.8375	1.1022	3.8288	1.8005	2.6516	3.1859	1.7727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.085	C1	C3	H7	109.881
C1	C3	H8	109.870	C1	C4	H6	110.085
C1	C4	H9	109.881	C1	C4	H10	109.870
O2	C1	C3	121.792	O2	C1	C4	121.792
C3	C1	C4	116.415	H5	C3	H7	109.958
H5	C3	H8	109.937	H6	C4	H9	109.958
H6	C4	H10	109.937	H7	C3	H8	107.062
H9	C4	H10	107.062

All results from a given calculation for CH₃COCH₃ (Acetone)

using model chemistry: MP2/daug-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 CH3COCH3 (Acetone)

using model chemistry: MP2/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃COCH₃ (Acetone)