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	hartrees
Energy at 0K	-192.678807
Energy at 298.15K	-192.684784
HF Energy	-191.983214
Nuclear repulsion energy	119.382808

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	3236	3056	2.88	57.09	0.67	0.81
2	A	3189	3012	0.00	7.23	0.75	0.86
3	A	3108	2936	2.85	182.39	0.01	0.01
4	A	1797	1697	101.88	6.43	0.48	0.64
5	A	1496	1413	23.11	26.36	0.72	0.84
6	A	1492	1410	0.00	23.53	0.75	0.86
7	A	1400	1322	14.20	1.37	0.72	0.84
8	A	1089	1029	0.28	3.77	0.50	0.67
9	A	891	842	0.00	1.98	0.75	0.86
10	A	805	761	1.15	12.18	0.13	0.23
11	A	374	353	1.07	0.29	0.65	0.79
12	A	65	62	0.00	0.04	0.75	0.86
13	B	3235	3056	5.03	46.13	0.75	0.86
14	B	3195	3018	7.83	88.37	0.75	0.86
15	B	3104	2932	0.58	0.01	0.75	0.86
16	B	1516	1432	18.18	0.21	0.75	0.86
17	B	1488	1406	0.13	0.95	0.75	0.86
18	B	1407	1329	66.47	2.33	0.75	0.86
19	B	1255	1185	58.81	0.99	0.75	0.86
20	B	1125	1062	3.42	0.07	0.75	0.86
21	B	901	851	4.16	3.00	0.75	0.86
22	B	526	497	14.67	1.51	0.75	0.86
23	B	489	462	0.30	0.67	0.75	0.86
24	B	154	145	0.01	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.187
O2	0.000	0.000	1.403
C3	0.000	1.283	-0.616
C4	0.000	-1.283	-0.616
H5	0.000	2.139	0.054
H6	-0.000	-2.139	0.054
H7	0.878	1.320	-1.265
H8	-0.878	1.320	-1.265
H9	-0.878	-1.320	-1.265
H10	0.878	-1.320	-1.265

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2157	1.5138	1.5138	2.1433	2.1433	2.1500	2.1501	2.1500	2.1501
O2	1.2157		2.3925	2.3925	2.5288	2.5288	3.1035	3.1035	3.1035	3.1035
C3	1.5138	2.3925		2.5656	1.0879	3.4871	1.0923	1.0923	2.8225	2.8227
C4	1.5138	2.3925	2.5656		3.4871	1.0879	2.8225	2.8227	1.0923	1.0923
H5	2.1433	2.5288	1.0879	3.4871		4.2784	1.7840	1.7840	3.8051	3.8051
H6	2.1433	2.5288	3.4871	1.0879	4.2784		3.8051	3.8051	1.7840	1.7840
H7	2.1500	3.1035	1.0923	2.8225	1.7840	3.8051		1.7566	3.1709	2.6403
H8	2.1501	3.1035	1.0923	2.8227	1.7840	3.8051	1.7566		2.6403	3.1716
H9	2.1500	3.1035	2.8225	1.0923	3.8051	1.7840	3.1709	2.6403		1.7566
H10	2.1501	3.1035	2.8227	1.0923	3.8051	1.7840	2.6403	3.1716	1.7566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.851	C1	C3	H7	110.124
C1	C3	H8	110.131	C1	C4	H6	109.851
C1	C4	H9	110.124	C1	C4	H10	110.131
O2	C1	C3	122.072	O2	C1	C4	122.072
C3	C1	C4	115.857	H5	C3	H7	109.820
H5	C3	H8	109.827	H6	C4	H9	109.820
H6	C4	H10	109.827	H7	C3	H8	107.046
H9	C4	H10	107.046

All results from a given calculation for CH₃COCH₃ (Acetone)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃COCH₃ (Acetone)