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	hartrees
Energy at 0K	-35.962055
Energy at 298.15K	-35.967934
HF Energy	-35.567490
Nuclear repulsion energy	65.472482

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	3116	3042	15.09	62.09	0.68	0.81
2	A	3065	2991	0.06	8.96	0.75	0.85
3	A	2975	2904	13.70	259.34	0.01	0.02
4	A	1598	1559	38.00	3.74	0.69	0.82
5	A	1501	1465	48.62	32.72	0.68	0.81
6	A	1492	1457	0.23	24.83	0.75	0.86
7	A	1445	1410	15.98	1.64	0.38	0.55
8	A	1109	1082	0.23	8.41	0.61	0.76
9	A	928	906	0.01	4.72	0.75	0.86
10	A	777	759	0.79	19.54	0.12	0.22
11	A	369	361	0.72	0.64	0.58	0.73
12	A	17	16	0.00	0.17	0.75	0.86
13	B	3114	3040	17.94	51.52	0.75	0.86
14	B	3072	2998	44.54	99.63	0.75	0.86
15	B	2970	2899	9.44	0.10	0.75	0.86
16	B	1508	1472	25.26	0.49	0.75	0.86
17	B	1504	1468	3.13	1.26	0.75	0.86
18	B	1438	1403	44.25	2.78	0.75	0.86
19	B	1267	1237	70.71	0.65	0.75	0.86
20	B	1142	1115	0.29	0.01	0.75	0.86
21	B	932	910	4.51	5.64	0.75	0.86
22	B	518	505	14.69	3.08	0.75	0.86
23	B	473	461	0.27	1.29	0.75	0.86
24	B	145	141	0.00	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.166
O2	0.000	0.000	1.445
C3	0.000	1.322	-0.631
C4	0.000	-1.322	-0.631
H5	0.034	2.168	0.068
H6	-0.034	-2.168	0.068
H7	0.871	1.361	-1.308
H8	-0.909	1.391	-1.253
H9	-0.871	-1.361	-1.308
H10	0.909	-1.391	-1.253

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2795	1.5430	1.5430	2.1709	2.1709	2.1870	2.1854	2.1870	2.1854
O2	1.2795		2.4608	2.4608	2.5688	2.5688	3.1924	3.1692	3.1924	3.1692
C3	1.5430	2.4608		2.6433	1.0987	3.5597	1.1038	1.1041	2.9010	2.9283
C4	1.5430	2.4608	2.6433		3.5597	1.0987	2.9010	2.9283	1.1038	1.1041
H5	2.1709	2.5688	1.0987	3.5597		4.3375	1.8016	1.8003	3.8954	3.8969
H6	2.1709	2.5688	3.5597	1.0987	4.3375		3.8954	3.8969	1.8016	1.8003
H7	2.1870	3.1924	1.1038	2.9010	1.8016	3.8954		1.7807	3.2318	2.7536
H8	2.1854	3.1692	1.1041	2.9283	1.8003	3.8969	1.7807		2.7536	3.3242
H9	2.1870	3.1924	2.9010	1.1038	3.8954	1.8016	3.2318	2.7536		1.7807
H10	2.1854	3.1692	2.9283	1.1041	3.8969	1.8003	2.7536	3.3242	1.7807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.379	C1	C3	H7	110.338
C1	C3	H8	110.191	C1	C4	H6	109.379
C1	C4	H9	110.338	C1	C4	H10	110.191
O2	C1	C3	121.068	O2	C1	C4	121.068
C3	C1	C4	117.864	H5	C3	H7	109.771
H5	C3	H8	109.624	H6	C4	H9	109.771
H6	C4	H10	109.624	H7	C3	H8	107.516
H9	C4	H10	107.516

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)