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	hartrees
Energy at 0K	-192.279330
Energy at 298.15K	-192.285403
HF Energy	-191.870585
Nuclear repulsion energy	117.570841

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	3185	3026	8.37	61.26	0.67	0.80
2	A	3135	2979	0.00	8.11	0.75	0.86
3	A	3064	2911	7.83	194.00	0.01	0.02
4	A	1657	1574	34.25	1.88	0.54	0.70
5	A	1544	1467	35.69	39.94	0.73	0.84
6	A	1544	1467	0.00	36.68	0.75	0.86
7	A	1471	1397	15.05	1.69	0.74	0.85
8	A	1126	1070	0.00	7.55	0.61	0.76
9	A	960	912	0.00	5.61	0.75	0.86
10	A	798	758	0.51	12.82	0.14	0.25
11	A	389	370	0.84	0.43	0.64	0.78
12	A	89	84	0.00	0.11	0.75	0.86
13	B	3183	3024	12.33	52.22	0.75	0.86
14	B	3141	2984	24.97	101.43	0.75	0.86
15	B	3059	2907	3.37	0.04	0.75	0.86
16	B	1559	1481	24.81	0.51	0.75	0.86
17	B	1547	1470	1.01	1.74	0.75	0.86
18	B	1462	1389	41.17	5.59	0.75	0.86
19	B	1292	1228	80.27	0.00	0.75	0.86
20	B	1175	1116	2.04	0.01	0.75	0.86
21	B	953	906	4.30	4.76	0.75	0.86
22	B	536	509	14.81	2.61	0.75	0.86
23	B	495	470	0.22	1.36	0.75	0.86
24	B	147	139	0.05	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.167
O2	0.000	0.000	1.431
C3	0.000	1.301	-0.625
C4	0.000	-1.301	-0.625
H5	0.000	2.146	0.072
H6	-0.000	-2.146	0.072
H7	0.887	1.358	-1.272
H8	-0.887	1.358	-1.272
H9	-0.887	-1.358	-1.272
H10	0.887	-1.358	-1.272

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2639	1.5229	1.5229	2.1481	2.1481	2.1684	2.1684	2.1684	2.1684
O2	1.2639		2.4326	2.4326	2.5400	2.5400	3.1523	3.1521	3.1523	3.1521
C3	1.5229	2.4326		2.6019	1.0952	3.5167	1.0998	1.0998	2.8770	2.8770
C4	1.5229	2.4326	2.6019		3.5167	1.0952	2.8770	2.8770	1.0998	1.0998
H5	2.1481	2.5400	1.0952	3.5167		4.2920	1.7929	1.7929	3.8565	3.8565
H6	2.1481	2.5400	3.5167	1.0952	4.2920		3.8565	3.8565	1.7929	1.7929
H7	2.1684	3.1523	1.0998	2.8770	1.7929	3.8565		1.7747	3.2445	2.7162
H8	2.1684	3.1521	1.0998	2.8770	1.7929	3.8565	1.7747		2.7162	3.2448
H9	2.1684	3.1523	2.8770	1.0998	3.8565	1.7929	3.2445	2.7162		1.7747
H10	2.1684	3.1521	2.8770	1.0998	3.8565	1.7929	2.7162	3.2448	1.7747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.176	C1	C3	H7	110.506
C1	C3	H8	110.502	C1	C4	H6	109.176
C1	C4	H9	110.506	C1	C4	H10	110.502
O2	C1	C3	121.318	O2	C1	C4	121.318
C3	C1	C4	117.363	H5	C3	H7	109.530
H5	C3	H8	109.527	H6	C4	H9	109.530
H6	C4	H10	109.527	H7	C3	H8	107.577
H9	C4	H10	107.577

All results from a given calculation for CH₃COCH₃ (Acetone)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

All results from a given calculation for CH₃COCH₃ (Acetone)