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	hartrees
Energy at 0K	-192.579913
Energy at 298.15K	-192.585840
HF Energy	-191.958821
Nuclear repulsion energy	118.577055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3181	3037
2	A₁	3061	2922
3	A₁	1761	1681
4	A₁	1517	1448
5	A₁	1428	1363
6	A₁	1100	1050
7	A₁	799	763
8	A₁	379	362
9	A₂	3127	2986
10	A₂	1511	1443
11	A₂	912	871
12	A₂	59	56
13	B₁	3133	2992
14	B₁	1531	1461
15	B₁	1141	1089
16	B₁	484	462
17	B₁	134	128
18	B₂	3180	3036
19	B₂	3056	2917
20	B₂	1512	1443
21	B₂	1432	1367
22	B₂	1269	1212
23	B₂	914	873
24	B₂	529	505

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.181
O2	0.000	0.000	1.412
C3	0.000	1.292	-0.620
C4	0.000	-1.292	-0.620
H5	0.000	2.145	0.065
H6	0.000	-2.145	0.065
H7	0.885	1.337	-1.270
H8	-0.885	1.337	-1.270
H9	-0.885	-1.337	-1.270
H10	0.885	-1.337	-1.270

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2308	1.5199	1.5199	2.1485	2.1485	2.1626	2.1626	2.1626	2.1626
O2	1.2308		2.4076	2.4076	2.5332	2.5332	3.1248	3.1248	3.1248	3.1248
C3	1.5199	2.4076		2.5835	1.0943	3.5046	1.0990	1.0990	2.8491	2.8491
C4	1.5199	2.4076	2.5835		3.5046	1.0943	2.8491	2.8491	1.0990	1.0990
H5	2.1485	2.5332	1.0943	3.5046		4.2907	1.7939	1.7939	3.8332	3.8332
H6	2.1485	2.5332	3.5046	1.0943	4.2907		3.8332	3.8332	1.7939	1.7939
H7	2.1626	3.1248	1.0990	2.8491	1.7939	3.8332		1.7697	3.2069	2.6744
H8	2.1626	3.1248	1.0990	2.8491	1.7939	3.8332	1.7697		2.6744	3.2069
H9	2.1626	3.1248	2.8491	1.0990	3.8332	1.7939	3.2069	2.6744		1.7697
H10	2.1626	3.1248	2.8491	1.0990	3.8332	1.7939	2.6744	3.2069	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.465	C1	C3	H7	110.300
C1	C3	H8	110.300	C1	C4	H6	109.465
C1	C4	H9	110.300	C1	C4	H10	110.300
O2	C1	C3	121.801	O2	C1	C4	121.801
C3	C1	C4	116.399	H5	C3	H7	109.750
H5	C3	H8	109.750	H6	C4	H9	109.750
H6	C4	H10	109.750	H7	C3	H8	107.247
H9	C4	H10	107.247

All results from a given calculation for CH₃COCH₃ (Acetone)

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

All results from a given calculation for CH₃COCH₃ (Acetone)