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	hartrees
Energy at 0K	-192.602080
Energy at 298.15K	-192.608014
HF Energy	-191.975070
Nuclear repulsion energy	119.228755

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	3259	3061	4.40	62.43	0.67	0.80
2	A	3207	3012	0.39	11.75	0.73	0.85
3	A	3124	2934	6.85	246.39	0.01	0.01
4	A	1766	1658	122.96	12.10	0.56	0.72
5	A	1520	1427	25.25	20.04	0.67	0.80
6	A	1512	1420	4.45	15.34	0.74	0.85
7	A	1432	1345	15.78	1.78	0.30	0.46
8	A	1110	1042	0.00	3.74	0.43	0.60
9	A	911	855	0.06	1.61	0.72	0.83
10	A	816	766	1.24	14.65	0.13	0.23
11	A	385	362	0.99	0.46	0.73	0.84
12	A	45	42	0.01	0.24	0.73	0.84
13	B	3258	3060	7.88	48.11	0.75	0.86
14	B	3213	3017	14.73	91.87	0.75	0.86
15	B	3120	2930	2.42	0.59	0.75	0.86
16	B	1532	1439	23.30	0.19	0.75	0.86
17	B	1512	1420	1.17	0.99	0.75	0.86
18	B	1437	1350	62.00	0.66	0.75	0.86
19	B	1279	1201	55.98	3.38	0.75	0.86
20	B	1141	1072	0.65	0.02	0.75	0.86
21	B	926	870	4.68	3.26	0.75	0.86
22	B	537	505	13.82	1.43	0.75	0.86
23	B	490	460	0.71	0.68	0.75	0.86
24	B	126	118	0.07	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.177
O2	0.000	0.000	1.407
C3	0.000	1.285	-0.616
C4	0.000	-1.285	-0.616
H5	0.096	2.132	0.055
H6	-0.096	-2.132	0.055
H7	0.817	1.284	-1.338
H8	-0.930	1.366	-1.180
H9	-0.817	-1.284	-1.338
H10	0.930	-1.366	-1.180

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2299	1.5097	1.5097	2.1381	2.1381	2.1471	2.1384	2.1471	2.1384
O2	1.2299		2.3965	2.3965	2.5270	2.5270	3.1383	3.0698	3.1383	3.0698
C3	1.5097	2.3965		2.5690	1.0853	3.4835	1.0897	1.0903	2.7900	2.8651
C4	1.5097	2.3965	2.5690		3.4835	1.0853	2.7900	2.8651	1.0897	1.0903
H5	2.1381	2.5270	1.0853	3.4835		4.2691	1.7827	1.7782	3.8002	3.8027
H6	2.1381	2.5270	3.4835	1.0853	4.2691		3.8002	3.8027	1.7827	1.7782
H7	2.1471	3.1383	1.0897	2.7900	1.7827	3.8002		1.7551	3.0431	2.6573
H8	2.1384	3.0698	1.0903	2.8651	1.7782	3.8027	1.7551		2.6573	3.3051
H9	2.1471	3.1383	2.7900	1.0897	3.8002	1.7827	3.0431	2.6573		1.7551
H10	2.1384	3.0698	2.8651	1.0903	3.8027	1.7782	2.6573	3.3051	1.7551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.875	C1	C3	H7	110.332
C1	C3	H8	109.608	C1	C4	H6	109.875
C1	C4	H9	110.332	C1	C4	H10	109.608
O2	C1	C3	121.698	O2	C1	C4	121.698
C3	C1	C4	116.603	H5	C3	H7	110.100
H5	C3	H8	109.641	H6	C4	H9	110.100
H6	C4	H10	109.641	H7	C3	H8	107.243
H9	C4	H10	107.243

All results from a given calculation for CH₃COCH₃ (Acetone)

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for CH₃COCH₃ (Acetone)