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	hartrees
Energy at 0K	-36.186530
Energy at 298.15K	-36.192436
HF Energy	-35.651080
Nuclear repulsion energy	66.147198

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	3223	3060	12.07	63.82	0.67	0.80
2	A	3180	3019	0.00	5.50	0.75	0.86
3	A	3092	2935	11.05	249.87	0.01	0.02
4	A	1767	1678	125.09	7.57	0.51	0.67
5	A	1497	1421	28.98	22.78	0.71	0.83
6	A	1495	1419	0.00	24.24	0.75	0.86
7	A	1421	1349	15.46	5.59	0.20	0.33
8	A	1102	1046	0.32	8.26	0.72	0.84
9	A	912	866	0.00	9.05	0.75	0.86
10	A	810	769	0.68	14.88	0.15	0.26
11	A	373	354	0.98	0.51	0.72	0.84
12	A	42	40	0.00	0.19	0.75	0.86
13	B	3221	3058	13.03	45.29	0.75	0.86
14	B	3185	3024	34.64	91.66	0.75	0.86
15	B	3089	2932	6.10	0.52	0.75	0.86
16	B	1515	1438	27.83	0.56	0.75	0.86
17	B	1489	1414	0.09	1.00	0.75	0.86
18	B	1437	1365	70.24	0.83	0.75	0.86
19	B	1270	1206	55.89	0.80	0.75	0.86
20	B	1134	1076	3.21	0.00	0.75	0.86
21	B	917	870	2.82	5.98	0.75	0.86
22	B	523	497	13.79	2.44	0.75	0.86
23	B	485	461	0.21	0.54	0.75	0.86
24	B	146	138	0.00	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.184
O2	0.000	0.000	1.426
C3	0.000	1.303	-0.626
C4	0.000	-1.303	-0.626
H5	0.001	2.167	0.057
H6	-0.001	-2.167	0.057
H7	0.890	1.337	-1.280
H8	-0.891	1.338	-1.278
H9	-0.890	-1.337	-1.280
H10	0.891	-1.338	-1.278

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2415	1.5345	1.5345	2.1706	2.1706	2.1736	2.1734	2.1736	2.1734
O2	1.2415		2.4307	2.4307	2.5632	2.5632	3.1466	3.1459	3.1466	3.1459
C3	1.5345	2.4307		2.6062	1.1009	3.5365	1.1050	1.1050	2.8623	2.8629
C4	1.5345	2.4307	2.6062		3.5365	1.1009	2.8623	2.8629	1.1050	1.1050
H5	2.1706	2.5632	1.1009	3.5365		4.3337	1.8068	1.8067	3.8548	3.8548
H6	2.1706	2.5632	3.5365	1.1009	4.3337		3.8548	3.8548	1.8068	1.8067
H7	2.1736	3.1466	1.1050	2.8623	1.8068	3.8548		1.7818	3.2134	2.6756
H8	2.1734	3.1459	1.1050	2.8629	1.8067	3.8548	1.7818		2.6756	3.2157
H9	2.1736	3.1466	2.8623	1.1050	3.8548	1.8068	3.2134	2.6756		1.7818
H10	2.1734	3.1459	2.8629	1.1050	3.8548	1.8067	2.6756	3.2157	1.7818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.804	C1	C3	H7	109.800
C1	C3	H8	109.786	C1	C4	H6	109.804
C1	C4	H9	109.800	C1	C4	H10	109.786
O2	C1	C3	121.875	O2	C1	C4	121.875
C3	C1	C4	116.249	H5	C3	H7	109.986
H5	C3	H8	109.973	H6	C4	H9	109.986
H6	C4	H10	109.973	H7	C3	H8	107.459
H9	C4	H10	107.459

All results from a given calculation for CH₃COCH₃ (Acetone)

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

All results from a given calculation for CH₃COCH₃ (Acetone)