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	hartrees
Energy at 0K	-192.838804
Energy at 298.15K	-192.844720
HF Energy	-192.047571
Nuclear repulsion energy	119.779601

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	3209	3044	2.93	57.51	0.63	0.77
2	A	3158	2995	0.00	8.95	0.75	0.86
3	A	3081	2922	4.84	289.52	0.00	0.01
4	A	1769	1678	124.75	10.11	0.64	0.78
5	A	1483	1407	29.33	14.02	0.63	0.77
6	A	1481	1404	0.00	9.88	0.75	0.86
7	A	1389	1317	15.67	1.07	0.68	0.81
8	A	1086	1030	0.05	2.56	0.22	0.36
9	A	889	843	0.00	0.36	0.75	0.86
10	A	808	766	1.71	14.87	0.10	0.18
11	A	378	359	1.24	0.50	0.69	0.82
12	A	36	34	0.00	0.07	0.75	0.86
13	B	3208	3043	7.12	45.90	0.75	0.86
14	B	3164	3001	9.90	85.84	0.75	0.86
15	B	3077	2918	0.78	0.32	0.75	0.86
16	B	1505	1427	20.13	0.00	0.75	0.86
17	B	1475	1398	0.28	0.88	0.75	0.86
18	B	1398	1326	70.58	0.02	0.75	0.86
19	B	1255	1191	52.03	2.72	0.75	0.86
20	B	1120	1062	1.88	0.12	0.75	0.86
21	B	900	853	5.17	1.46	0.75	0.86
22	B	533	505	14.57	1.70	0.75	0.86
23	B	485	460	0.44	0.46	0.75	0.86
24	B	143	136	0.05	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.183
O2	0.000	0.000	1.398
C3	0.000	1.279	-0.613
C4	0.000	-1.279	-0.613
H5	-0.002	2.133	0.056
H6	0.002	-2.133	0.056
H7	0.877	1.315	-1.257
H8	-0.874	1.314	-1.261
H9	-0.877	-1.315	-1.257
H10	0.874	-1.314	-1.261

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2152	1.5066	1.5066	2.1364	2.1364	2.1383	2.1388	2.1383	2.1388
O2	1.2152		2.3834	2.3834	2.5200	2.5200	3.0902	3.0920	3.0902	3.0920
C3	1.5066	2.3834		2.5586	1.0839	3.4767	1.0888	1.0888	2.8132	2.8120
C4	1.5066	2.3834	2.5586		3.4767	1.0839	2.8132	2.8120	1.0888	1.0888
H5	2.1364	2.5200	1.0839	3.4767		4.2651	1.7788	1.7791	3.7914	3.7916
H6	2.1364	2.5200	3.4767	1.0839	4.2651		3.7914	3.7916	1.7788	1.7791
H7	2.1383	3.0902	1.0888	2.8132	1.7788	3.7914		1.7511	3.1611	2.6285
H8	2.1388	3.0920	1.0888	2.8120	1.7791	3.7916	1.7511		2.6285	3.1558
H9	2.1383	3.0902	2.8132	1.0888	3.7914	1.7788	3.1611	2.6285		1.7511
H10	2.1388	3.0920	2.8120	1.0888	3.7916	1.7791	2.6285	3.1558	1.7511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.038	C1	C3	H7	109.902
C1	C3	H8	109.948	C1	C4	H6	110.038
C1	C4	H9	109.902	C1	C4	H10	109.948
O2	C1	C3	121.885	O2	C1	C4	121.885
C3	C1	C4	116.229	H5	C3	H7	109.910
H5	C3	H8	109.939	H6	C4	H9	109.910
H6	C4	H10	109.939	H7	C3	H8	107.058
H9	C4	H10	107.058

All results from a given calculation for CH₃COCH₃ (Acetone)

using model chemistry: MP2/cc-pVQZ

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/cc-pVQZ

States and conformations

All results from a given calculation for CH₃COCH₃ (Acetone)