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	hartrees
Energy at 0K	-192.835048
Energy at 298.15K	-192.841003
HF Energy	-192.033899
Nuclear repulsion energy	120.050614

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	3211	3048	3.08	61.44	0.60	0.75
2	A	3159	2999	0.00	8.38	0.75	0.86
3	A	3098	2941	5.10	258.96	0.01	0.01
4	A	1788	1697	114.41	8.66	0.67	0.80
5	A	1494	1418	28.70	16.55	0.66	0.79
6	A	1492	1417	0.01	12.97	0.75	0.86
7	A	1394	1324	15.75	1.25	0.58	0.73
8	A	1088	1033	0.03	2.77	0.30	0.46
9	A	889	844	0.00	0.57	0.75	0.86
10	A	814	773	1.63	13.33	0.11	0.20
11	A	382	362	1.04	0.39	0.67	0.80
12	A	40	38	0.00	0.05	0.75	0.86
13	B	3209	3047	7.42	47.58	0.75	0.86
14	B	3166	3005	11.01	89.03	0.75	0.86
15	B	3093	2937	0.91	0.40	0.75	0.86
16	B	1516	1439	20.27	0.01	0.75	0.86
17	B	1485	1410	0.29	0.92	0.75	0.86
18	B	1405	1334	75.81	0.35	0.75	0.86
19	B	1262	1198	51.36	2.05	0.75	0.86
20	B	1122	1065	1.78	0.08	0.75	0.86
21	B	903	857	4.97	1.64	0.75	0.86
22	B	534	507	14.87	1.94	0.75	0.86
23	B	493	469	0.33	0.57	0.75	0.86
24	B	149	142	0.01	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.183
O2	0.000	0.000	1.397
C3	0.000	1.275	-0.612
C4	0.000	-1.275	-0.612
H5	0.001	2.126	0.054
H6	-0.001	-2.126	0.054
H7	0.873	1.308	-1.258
H8	-0.875	1.310	-1.256
H9	-0.873	-1.308	-1.258
H10	0.875	-1.310	-1.256

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2139	1.5023	1.5023	2.1301	2.1301	2.1330	2.1329	2.1330	2.1329
O2	1.2139		2.3792	2.3792	2.5145	2.5145	3.0856	3.0847	3.0856	3.0847
C3	1.5023	2.3792		2.5493	1.0815	3.4656	1.0864	1.0865	2.8021	2.8031
C4	1.5023	2.3792	2.5493		3.4656	1.0815	2.8021	2.8031	1.0864	1.0865
H5	2.1301	2.5145	1.0815	3.4656		4.2524	1.7751	1.7750	3.7794	3.7794
H6	2.1301	2.5145	3.4656	1.0815	4.2524		3.7794	3.7794	1.7751	1.7750
H7	2.1330	3.0856	1.0864	2.8021	1.7751	3.7794		1.7480	3.1463	2.6180
H8	2.1329	3.0847	1.0865	2.8031	1.7750	3.7794	1.7480		2.6180	3.1495
H9	2.1330	3.0856	2.8021	1.0864	3.7794	1.7751	3.1463	2.6180		1.7480
H10	2.1329	3.0847	2.8031	1.0865	3.7794	1.7750	2.6180	3.1495	1.7480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.991	C1	C3	H7	109.927
C1	C3	H8	109.917	C1	C4	H6	109.991
C1	C4	H9	109.927	C1	C4	H10	109.917
O2	C1	C3	121.952	O2	C1	C4	121.952
C3	C1	C4	116.096	H5	C3	H7	109.928
H5	C3	H8	109.922	H6	C4	H9	109.928
H6	C4	H10	109.922	H7	C3	H8	107.112
H9	C4	H10	107.112

All results from a given calculation for CH₃COCH₃ (Acetone)

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CH₃COCH₃ (Acetone)