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	hartrees
Energy at 0K	-192.288016
Energy at 298.15K	-192.293991
HF Energy	-191.899721
Nuclear repulsion energy	116.594104

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	3161	3052	14.61	54.48	0.67	0.80
2	A	3113	3005	1.60	17.10	0.70	0.82
3	A	3023	2918	12.32	243.31	0.01	0.02
4	A	1611	1555	46.70	2.38	0.53	0.69
5	A	1516	1464	10.28	25.08	0.72	0.84
6	A	1510	1457	38.81	24.97	0.73	0.85
7	A	1450	1400	21.82	1.87	0.29	0.45
8	A	1110	1071	0.00	13.06	0.72	0.83
9	A	944	911	0.11	8.12	0.73	0.84
10	A	777	750	0.69	17.43	0.14	0.24
11	A	373	360	0.83	0.40	0.73	0.85
12	A	91	87	0.04	0.31	0.68	0.81
13	B	3159	3049	17.11	44.64	0.75	0.86
14	B	3118	3010	37.15	73.58	0.75	0.86
15	B	3020	2915	6.75	0.25	0.75	0.86
16	B	1528	1475	28.91	1.30	0.75	0.86
17	B	1515	1462	4.90	2.11	0.75	0.86
18	B	1442	1392	47.86	1.73	0.75	0.86
19	B	1266	1222	82.51	0.15	0.75	0.86
20	B	1151	1111	2.47	0.17	0.75	0.86
21	B	938	906	4.96	6.40	0.75	0.86
22	B	514	496	14.04	3.12	0.75	0.86
23	B	477	461	0.61	1.01	0.75	0.86
24	B	133	129	0.11	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.172
O2	0.000	0.000	1.445
C3	0.000	1.313	-0.632
C4	0.000	-1.313	-0.632
H5	0.182	2.166	0.040
H6	-0.182	-2.166	0.040
H7	0.772	1.283	-1.421
H8	-0.981	1.443	-1.126
H9	-0.772	-1.283	-1.421
H10	0.981	-1.443	-1.126

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2725	1.5392	1.5392	2.1773	2.1773	2.1866	2.1753	2.1866	2.1753
O2	1.2725		2.4565	2.4565	2.5877	2.5877	3.2335	3.1075	3.2335	3.1075
C3	1.5392	2.4565		2.6251	1.1010	3.5472	1.1047	1.1062	2.8207	2.9668
C4	1.5392	2.4565	2.6251		3.5472	1.1010	2.8207	2.9668	1.1047	1.1062
H5	2.1773	2.5877	1.1010	3.5472		4.3466	1.8062	1.7985	3.8651	3.8760
H6	2.1773	2.5877	3.5472	1.1010	4.3466		3.8651	3.8760	1.8062	1.7985
H7	2.1866	3.2335	1.1047	2.8207	1.8062	3.8651		1.7846	2.9948	2.7501
H8	2.1753	3.1075	1.1062	2.9668	1.7985	3.8760	1.7846		2.7501	3.4900
H9	2.1866	3.2335	2.8207	1.1047	3.8651	1.8062	2.9948	2.7501		1.7846
H10	2.1753	3.1075	2.9668	1.1062	3.8760	1.7985	2.7501	3.4900	1.7846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	110.005	C1	C3	H7	110.511
C1	C3	H8	109.543	C1	C4	H6	110.005
C1	C4	H9	110.511	C1	C4	H10	109.543
O2	C1	C3	121.486	O2	C1	C4	121.486
C3	C1	C4	117.028	H5	C3	H7	109.946
H5	C3	H8	109.146	H6	C4	H9	109.946
H6	C4	H10	109.146	H7	C3	H8	107.645
H9	C4	H10	107.645

All results from a given calculation for CH₃COCH₃ (Acetone)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for CH₃COCH₃ (Acetone)