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	hartrees
Energy at 0K	-192.540872
Energy at 298.15K	-192.546865
HF Energy	-191.959862
Nuclear repulsion energy	119.115471

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	3237	3050	4.88	61.11	0.65	0.79
2	A	3185	3001	0.00	7.96	0.75	0.86
3	A	3110	2930	4.58	181.80	0.01	0.02
4	A	1796	1692	90.01	5.36	0.51	0.67
5	A	1535	1446	25.01	31.90	0.73	0.84
6	A	1529	1441	0.01	30.30	0.75	0.86
7	A	1444	1361	14.41	1.67	0.75	0.85
8	A	1116	1052	0.13	5.14	0.58	0.74
9	A	924	870	0.00	4.27	0.75	0.86
10	A	816	769	0.80	11.40	0.15	0.26
11	A	386	363	1.01	0.31	0.59	0.74
12	A	63	59	0.00	0.06	0.75	0.86
13	B	3236	3049	6.85	50.22	0.75	0.86
14	B	3191	3006	14.23	96.72	0.75	0.86
15	B	3105	2926	1.06	0.04	0.75	0.86
16	B	1550	1460	22.49	0.41	0.75	0.86
17	B	1528	1440	0.61	1.23	0.75	0.86
18	B	1450	1366	68.76	4.29	0.75	0.86
19	B	1288	1213	60.53	0.43	0.75	0.86
20	B	1157	1090	3.10	0.05	0.75	0.86
21	B	929	875	3.55	4.08	0.75	0.86
22	B	539	508	15.18	1.79	0.75	0.86
23	B	493	465	0.32	1.11	0.75	0.86
24	B	143	134	0.03	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.179
O2	0.000	0.000	1.406
C3	0.000	1.285	-0.616
C4	0.000	-1.285	-0.616
H5	-0.002	2.135	0.066
H6	0.002	-2.135	0.066
H7	0.882	1.333	-1.263
H8	-0.880	1.331	-1.266
H9	-0.882	-1.333	-1.263
H10	0.880	-1.331	-1.266

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2266	1.5117	1.5117	2.1381	2.1381	2.1526	2.1526	2.1526	2.1526
O2	1.2266		2.3961	2.3961	2.5205	2.5205	3.1106	3.1116	3.1106	3.1116
C3	1.5117	2.3961		2.5710	1.0899	3.4881	1.0946	1.0946	2.8375	2.8359
C4	1.5117	2.3961	2.5710		3.4881	1.0899	2.8375	2.8359	1.0946	1.0946
H5	2.1381	2.5205	1.0899	3.4881		4.2703	1.7866	1.7865	3.8168	3.8166
H6	2.1381	2.5205	3.4881	1.0899	4.2703		3.8168	3.8166	1.7866	1.7865
H7	2.1526	3.1106	1.0946	2.8375	1.7866	3.8168		1.7619	3.1964	2.6639
H8	2.1526	3.1116	1.0946	2.8359	1.7865	3.8166	1.7619		2.6639	3.1914
H9	2.1526	3.1106	2.8375	1.0946	3.8168	1.7866	3.1964	2.6639		1.7619
H10	2.1526	3.1116	2.8359	1.0946	3.8166	1.7865	2.6639	3.1914	1.7619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.473	C1	C3	H7	110.342
C1	C3	H8	110.338	C1	C4	H6	109.473
C1	C4	H9	110.342	C1	C4	H10	110.338
O2	C1	C3	121.748	O2	C1	C4	121.748
C3	C1	C4	116.504	H5	C3	H7	109.740
H5	C3	H8	109.729	H6	C4	H9	109.740
H6	C4	H10	109.729	H7	C3	H8	107.189
H9	C4	H10	107.189

All results from a given calculation for CH₃COCH₃ (Acetone)

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

States and conformations

All results from a given calculation for CH₃COCH₃ (Acetone)