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	hartrees
Energy at 0K	-192.589477
Energy at 298.15K	-192.595460
HF Energy	-191.970060
Nuclear repulsion energy	119.298504

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	3269	3055	5.98	60.25	0.66	0.80
2	A	3218	3007	0.00	7.60	0.75	0.86
3	A	3135	2929	5.36	186.83	0.01	0.02
4	A	1799	1681	89.60	5.67	0.52	0.68
5	A	1531	1431	20.83	30.71	0.73	0.84
6	A	1529	1428	0.00	28.97	0.75	0.86
7	A	1437	1343	11.83	1.65	0.75	0.85
8	A	1112	1039	0.06	4.79	0.58	0.73
9	A	917	857	0.00	3.77	0.75	0.86
10	A	816	762	0.89	11.56	0.15	0.25
11	A	383	358	0.84	0.31	0.61	0.76
12	A	57	53	0.00	0.05	0.75	0.86
13	B	3268	3054	7.79	48.92	0.75	0.86
14	B	3223	3012	16.58	94.36	0.75	0.86
15	B	3130	2925	1.53	0.01	0.75	0.86
16	B	1550	1448	18.63	0.37	0.75	0.86
17	B	1525	1425	0.33	1.07	0.75	0.86
18	B	1445	1350	60.91	3.78	0.75	0.86
19	B	1282	1198	60.61	0.54	0.75	0.86
20	B	1149	1074	2.10	0.04	0.75	0.86
21	B	925	864	4.24	3.84	0.75	0.86
22	B	536	501	15.47	1.86	0.75	0.86
23	B	490	458	0.53	1.10	0.75	0.86
24	B	143	134	0.02	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.180
O2	0.000	0.000	1.406
C3	0.000	1.284	-0.617
C4	0.000	-1.284	-0.617
H5	-0.001	2.132	0.060
H6	0.001	-2.132	0.060
H7	0.877	1.327	-1.261
H8	-0.877	1.327	-1.261
H9	-0.877	-1.327	-1.261
H10	0.877	-1.327	-1.261

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2258	1.5110	1.5110	2.1351	2.1351	2.1461	2.1460	2.1461	2.1460
O2	1.2258		2.3954	2.3954	2.5206	2.5206	3.1048	3.1050	3.1048	3.1050
C3	1.5110	2.3954		2.5685	1.0847	3.4824	1.0892	1.0893	2.8290	2.8286
C4	1.5110	2.3954	2.5685		3.4824	1.0847	2.8290	2.8286	1.0892	1.0893
H5	2.1351	2.5206	1.0847	3.4824		4.2635	1.7787	1.7787	3.8049	3.8049
H6	2.1351	2.5206	3.4824	1.0847	4.2635		3.8049	3.8049	1.7787	1.7787
H7	2.1461	3.1048	1.0892	2.8290	1.7787	3.8049		1.7539	3.1815	2.6536
H8	2.1460	3.1050	1.0893	2.8286	1.7787	3.8049	1.7539		2.6536	3.1803
H9	2.1461	3.1048	2.8290	1.0892	3.8049	1.7787	3.1815	2.6536		1.7539
H10	2.1460	3.1050	2.8286	1.0893	3.8049	1.7787	2.6536	3.1803	1.7539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.583	C1	C3	H7	110.189
C1	C3	H8	110.183	C1	C4	H6	109.583
C1	C4	H9	110.189	C1	C4	H10	110.183
O2	C1	C3	121.797	O2	C1	C4	121.797
C3	C1	C4	116.406	H5	C3	H7	109.812
H5	C3	H8	109.804	H6	C4	H9	109.812
H6	C4	H10	109.804	H7	C3	H8	107.240
H9	C4	H10	107.240

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)