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	hartrees
Energy at 0K	-192.678715
Energy at 298.15K	-192.684651
HF Energy	-192.002133
Nuclear repulsion energy	119.280172

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	3210	3040	6.80	65.51	0.67	0.80
2	A	3161	2994	0.18	11.49	0.74	0.85
3	A	3086	2923	5.22	217.24	0.01	0.02
4	A	1789	1694	103.84	7.38	0.72	0.83
5	A	1511	1431	31.10	22.60	0.69	0.81
6	A	1503	1423	0.91	20.86	0.75	0.86
7	A	1423	1348	19.83	2.03	0.32	0.48
8	A	1107	1048	0.03	3.83	0.47	0.64
9	A	905	858	0.02	1.97	0.73	0.84
10	A	810	767	1.27	12.69	0.15	0.25
11	A	384	364	0.83	0.46	0.50	0.67
12	A	34	32	0.01	0.10	0.75	0.86
13	B	3209	3040	8.48	54.01	0.75	0.86
14	B	3167	3000	18.12	97.90	0.75	0.86
15	B	3081	2918	2.57	0.08	0.75	0.86
16	B	1526	1445	27.09	0.35	0.75	0.86
17	B	1502	1423	1.66	1.09	0.75	0.86
18	B	1429	1353	83.47	2.17	0.75	0.86
19	B	1268	1201	58.77	1.33	0.75	0.86
20	B	1141	1080	2.50	0.02	0.75	0.86
21	B	914	866	4.52	3.12	0.75	0.86
22	B	541	512	14.49	2.29	0.75	0.86
23	B	491	465	0.15	0.98	0.75	0.86
24	B	144	136	0.03	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.184
O2	0.000	0.000	1.401
C3	0.000	1.286	-0.616
C4	0.000	-1.286	-0.616
H5	0.069	2.136	0.061
H6	-0.069	-2.136	0.061
H7	0.836	1.304	-1.320
H8	-0.919	1.363	-1.204
H9	-0.836	-1.304	-1.320
H10	0.919	-1.363	-1.204

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2169	1.5144	1.5144	2.1407	2.1407	2.1591	2.1516	2.1591	2.1516
O2	1.2169		2.3918	2.3918	2.5224	2.5224	3.1310	3.0805	3.1310	3.0805
C3	1.5144	2.3918		2.5721	1.0889	3.4892	1.0933	1.0938	2.8113	2.8648
C4	1.5144	2.3918	2.5721		3.4892	1.0889	2.8113	2.8648	1.0933	1.0938
H5	2.1407	2.5224	1.0889	3.4892		4.2744	1.7858	1.7820	3.8160	3.8167
H6	2.1407	2.5224	3.4892	1.0889	4.2744		3.8160	3.8167	1.7858	1.7820
H7	2.1591	3.1310	1.0933	2.8113	1.7858	3.8160		1.7595	3.0980	2.6706
H8	2.1516	3.0805	1.0938	2.8648	1.7820	3.8167	1.7595		2.6706	3.2871
H9	2.1591	3.1310	2.8113	1.0933	3.8160	1.7858	3.0980	2.6706		1.7595
H10	2.1516	3.0805	2.8648	1.0938	3.8167	1.7820	2.6706	3.2871	1.7595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.545	C1	C3	H7	110.743
C1	C3	H8	110.111	C1	C4	H6	109.545
C1	C4	H9	110.743	C1	C4	H10	110.111
O2	C1	C3	121.877	O2	C1	C4	121.877
C3	C1	C4	116.246	H5	C3	H7	109.837
H5	C3	H8	109.449	H6	C4	H9	109.837
H6	C4	H10	109.449	H7	C3	H8	107.119
H9	C4	H10	107.119

All results from a given calculation for CH₃COCH₃ (Acetone)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for CH₃COCH₃ (Acetone)