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	hartrees
Energy at 0K	-36.235491
Energy at 298.15K	-36.241469
HF Energy	-35.662501
Nuclear repulsion energy	66.545174

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	3205	3054	9.85	64.20	0.66	0.80
2	A	3155	3006	1.57	21.81	0.71	0.83
3	A	3070	2925	7.84	246.38	0.01	0.02
4	A	1734	1653	111.53	9.16	0.69	0.81
5	A	1511	1439	25.69	20.50	0.68	0.81
6	A	1502	1431	6.51	19.03	0.75	0.85
7	A	1424	1357	13.61	2.02	0.30	0.46
8	A	1101	1049	0.08	4.85	0.52	0.68
9	A	902	859	0.17	2.92	0.64	0.78
10	A	796	759	1.34	15.79	0.13	0.24
11	A	372	354	0.85	0.38	0.55	0.71
12	A	96	91	0.02	0.21	0.75	0.85
13	B	3204	3053	10.77	50.80	0.75	0.86
14	B	3159	3010	24.42	83.51	0.75	0.86
15	B	3066	2921	4.11	0.25	0.75	0.86
16	B	1522	1450	22.20	0.97	0.75	0.86
17	B	1504	1433	2.85	1.91	0.75	0.86
18	B	1431	1364	67.68	0.99	0.75	0.86
19	B	1262	1202	59.25	1.55	0.75	0.86
20	B	1129	1075	0.78	0.08	0.75	0.86
21	B	915	872	5.40	4.14	0.75	0.86
22	B	527	502	14.34	2.25	0.75	0.86
23	B	474	451	0.61	1.04	0.75	0.86
24	B	128	122	0.10	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.179
O2	0.000	0.000	1.415
C3	0.000	1.299	-0.621
C4	0.000	-1.299	-0.621
H5	0.189	2.140	0.047
H6	-0.189	-2.140	0.047
H7	0.753	1.266	-1.416
H8	-0.978	1.428	-1.101
H9	-0.753	-1.266	-1.416
H10	0.978	-1.428	-1.101

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2358	1.5257	1.5257	2.1529	2.1529	2.1711	2.1528	2.1711	2.1528
O2	1.2358		2.4152	2.4152	2.5471	2.5471	3.1910	3.0539	3.1910	3.0539
C3	1.5257	2.4152		2.5980	1.0913	3.5090	1.0954	1.0969	2.7889	2.9366
C4	1.5257	2.4152	2.5980		3.5090	1.0913	2.7889	2.9366	1.0954	1.0969
H5	2.1529	2.5471	1.0913	3.5090		4.2977	1.7953	1.7857	3.8253	3.8309
H6	2.1529	2.5471	3.5090	1.0913	4.2977		3.8253	3.8309	1.7953	1.7857
H7	2.1711	3.1910	1.0954	2.7889	1.7953	3.8253		1.7670	2.9464	2.7216
H8	2.1528	3.0539	1.0969	2.9366	1.7857	3.8309	1.7670		2.7216	3.4615
H9	2.1711	3.1910	2.7889	1.0954	3.8253	1.7953	2.9464	2.7216		1.7670
H10	2.1528	3.0539	2.9366	1.0969	3.8309	1.7857	2.7216	3.4615	1.7670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.584	C1	C3	H7	110.779
C1	C3	H8	109.254	C1	C4	H6	109.584
C1	C4	H9	110.779	C1	C4	H10	109.254
O2	C1	C3	121.637	O2	C1	C4	121.637
C3	C1	C4	116.725	H5	C3	H7	110.374
H5	C3	H8	109.389	H6	C4	H9	110.374
H6	C4	H10	109.389	H7	C3	H8	107.420
H9	C4	H10	107.420

All results from a given calculation for CH₃COCH₃ (Acetone)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for CH₃COCH₃ (Acetone)