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	hartrees
Energy at 0K	-192.583548
Energy at 298.15K	-192.589483
HF Energy	-191.974890
Nuclear repulsion energy	119.104222

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	3255	3062	4.58	62.85	0.66	0.80
2	A	3203	3013	0.47	12.40	0.73	0.84
3	A	3121	2936	6.98	247.37	0.01	0.01
4	A	1762	1657	122.49	12.13	0.57	0.72
5	A	1518	1428	24.91	20.06	0.67	0.80
6	A	1509	1419	4.63	15.42	0.74	0.85
7	A	1430	1345	15.19	1.76	0.29	0.45
8	A	1108	1042	0.00	3.79	0.43	0.60
9	A	909	855	0.08	1.64	0.71	0.83
10	A	815	766	1.24	14.84	0.13	0.23
11	A	384	361	0.98	0.47	0.73	0.84
12	A	50	47	0.01	0.25	0.73	0.84
13	B	3254	3061	8.05	48.40	0.75	0.86
14	B	3208	3018	15.14	91.78	0.75	0.86
15	B	3117	2931	2.51	0.61	0.75	0.86
16	B	1529	1439	22.87	0.21	0.75	0.86
17	B	1510	1421	1.12	1.05	0.75	0.86
18	B	1435	1350	60.95	0.65	0.75	0.86
19	B	1278	1202	56.36	3.43	0.75	0.86
20	B	1139	1071	0.59	0.02	0.75	0.86
21	B	925	870	4.74	3.32	0.75	0.86
22	B	536	504	13.87	1.44	0.75	0.86
23	B	488	459	0.74	0.68	0.75	0.86
24	B	125	118	0.08	0.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.177
O2	0.000	0.000	1.408
C3	0.000	1.286	-0.617
C4	0.000	-1.286	-0.617
H5	0.104	2.134	0.055
H6	-0.104	-2.134	0.055
H7	0.812	1.282	-1.345
H8	-0.935	1.372	-1.174
H9	-0.812	-1.282	-1.345
H10	0.935	-1.372	-1.174

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2310	1.5115	1.5115	2.1401	2.1401	2.1497	2.1405	2.1497	2.1405
O2	1.2310		2.3988	2.3988	2.5293	2.5293	3.1440	3.0697	3.1440	3.0697
C3	1.5115	2.3988		2.5723	1.0865	3.4871	1.0908	1.0915	2.7906	2.8724
C4	1.5115	2.3988	2.5723		3.4871	1.0865	2.7906	2.8724	1.0908	1.0915
H5	2.1401	2.5293	1.0865	3.4871		4.2732	1.7849	1.7800	3.8040	3.8069
H6	2.1401	2.5293	3.4871	1.0865	4.2732		3.8040	3.8069	1.7849	1.7800
H7	2.1497	3.1440	1.0908	2.7906	1.7849	3.8040		1.7573	3.0356	2.6628
H8	2.1405	3.0697	1.0915	2.8724	1.7800	3.8069	1.7573		2.6628	3.3204
H9	2.1497	3.1440	2.7906	1.0908	3.8040	1.7849	3.0356	2.6628		1.7573
H10	2.1405	3.0697	2.8724	1.0915	3.8069	1.7800	2.6628	3.3204	1.7573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.850	C1	C3	H7	110.353
C1	C3	H8	109.580	C1	C4	H6	109.850
C1	C4	H9	110.353	C1	C4	H10	109.580
O2	C1	C3	121.686	O2	C1	C4	121.686
C3	C1	C4	116.629	H5	C3	H7	110.125
H5	C3	H8	109.629	H6	C4	H9	110.125
H6	C4	H10	109.629	H7	C3	H8	107.264
H9	C4	H10	107.264

All results from a given calculation for CH₃COCH₃ (Acetone)

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

All results from a given calculation for CH₃COCH₃ (Acetone)