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	hartrees
Energy at 0K	-192.961854
Energy at 298.15K	-192.967798
HF Energy	-192.758190
Nuclear repulsion energy	119.185462

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	3210	7.89	66.59	0.62	0.76
2	A	3151	3151	0.00	9.25	0.75	0.86
3	A	3087	3087	6.53	200.84	0.01	0.02
4	A	1807	1807	129.04	5.77	0.50	0.67
5	A	1506	1506	22.04	30.57	0.73	0.84
6	A	1505	1505	0.01	30.11	0.75	0.86
7	A	1418	1418	12.82	2.55	0.69	0.81
8	A	1101	1101	0.00	4.47	0.58	0.73
9	A	903	903	0.00	3.56	0.75	0.86
10	A	798	798	0.83	12.02	0.16	0.27
11	A	380	380	1.09	0.36	0.53	0.70
12	A	55	55	0.00	0.05	0.75	0.86
13	B	3209	3209	9.90	53.78	0.75	0.86
14	B	3157	3157	20.94	101.44	0.75	0.86
15	B	3081	3081	1.63	0.31	0.75	0.86
16	B	1526	1526	18.40	0.36	0.75	0.86
17	B	1499	1499	0.26	1.35	0.75	0.86
18	B	1423	1423	57.04	4.46	0.75	0.86
19	B	1260	1260	69.32	0.57	0.75	0.86
20	B	1136	1136	3.13	0.02	0.75	0.86
21	B	906	906	5.51	3.81	0.75	0.86
22	B	533	533	15.43	1.85	0.75	0.86
23	B	488	488	0.51	1.15	0.75	0.86
24	B	140	140	0.05	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.182
O2	0.000	0.000	1.402
C3	0.000	1.289	-0.615
C4	0.000	-1.289	-0.615
H5	-0.001	2.139	0.063
H6	0.001	-2.139	0.063
H7	0.879	1.334	-1.263
H8	-0.878	1.334	-1.264
H9	-0.879	-1.334	-1.263
H10	0.878	-1.334	-1.264

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2196	1.5157	1.5157	2.1424	2.1424	2.1546	2.1546	2.1546	2.1546
O2	1.2196		2.3938	2.3938	2.5237	2.5237	3.1073	3.1076	3.1073	3.1076
C3	1.5157	2.3938		2.5777	1.0875	3.4943	1.0926	1.0926	2.8413	2.8408
C4	1.5157	2.3938	2.5777		3.4943	1.0875	2.8413	2.8408	1.0926	1.0926
H5	2.1424	2.5237	1.0875	3.4943		4.2781	1.7829	1.7828	3.8202	3.8201
H6	2.1424	2.5237	3.4943	1.0875	4.2781		3.8202	3.8201	1.7829	1.7828
H7	2.1546	3.1073	1.0926	2.8413	1.7829	3.8202		1.7568	3.1955	2.6682
H8	2.1546	3.1076	1.0926	2.8408	1.7828	3.8201	1.7568		2.6682	3.1937
H9	2.1546	3.1073	2.8413	1.0926	3.8202	1.7829	3.1955	2.6682		1.7568
H10	2.1546	3.1076	2.8408	1.0926	3.8201	1.7828	2.6682	3.1937	1.7568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.675	C1	C3	H7	110.334
C1	C3	H8	110.331	C1	C4	H6	109.675
C1	C4	H9	110.334	C1	C4	H10	110.331
O2	C1	C3	121.755	O2	C1	C4	121.755
C3	C1	C4	116.491	H5	C3	H7	109.729
H5	C3	H8	109.723	H6	C4	H9	109.729
H6	C4	H10	109.723	H7	C3	H8	107.011
H9	C4	H10	107.011

All results from a given calculation for CH₃COCH₃ (Acetone)

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G**

States and conformations

All results from a given calculation for CH₃COCH₃ (Acetone)