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	hartrees
Energy at 0K	-192.561876
Energy at 298.15K	-192.567849
HF Energy	-191.959952
Nuclear repulsion energy	118.908030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3189	3036	8.84
2	A₁	3072	2925	7.26
3	A₁	1826	1739	124.75
4	A₁	1523	1451	22.78
5	A₁	1441	1372	10.81
6	A₁	1112	1059	0.00
7	A₁	811	773	0.41
8	A₁	383	365	1.04
9	A₂	3133	2984	0.00
10	A₂	1516	1444	0.00
11	A₂	922	878	0.00
12	A₂	62	59	0.00
13	B₁	3139	2990	23.22
14	B₁	1536	1462	20.56
15	B₁	1153	1098	2.72
16	B₁	492	468	0.78
17	B₁	138	132	0.00
18	B₂	3187	3035	9.73
19	B₂	3066	2920	2.27
20	B₂	1517	1445	0.32
21	B₂	1447	1378	61.94
22	B₂	1284	1223	59.45
23	B₂	926	882	3.14
24	B₂	539	513	16.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.182
O2	0.000	0.000	1.404
C3	0.000	1.291	-0.616
C4	0.000	-1.291	-0.616
H5	0.000	2.143	0.068
H6	0.000	-2.143	0.068
H7	0.884	1.337	-1.266
H8	-0.884	1.337	-1.266
H9	-0.884	-1.337	-1.266
H10	0.884	-1.337	-1.266

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.2227	1.5175	1.5175	2.1460	2.1460	2.1599	2.1599	2.1599	2.1599
O2	1.2227		2.3977	2.3977	2.5254	2.5254	3.1145	3.1145	3.1145	3.1145
C3	1.5175	2.3977		2.5815	1.0931	3.5013	1.0980	1.0980	2.8480	2.8480
C4	1.5175	2.3977	2.5815		3.5013	1.0931	2.8480	2.8480	1.0980	1.0980
H5	2.1460	2.5254	1.0931	3.5013		4.2859	1.7916	1.7916	3.8307	3.8307
H6	2.1460	2.5254	3.5013	1.0931	4.2859		3.8307	3.8307	1.7916	1.7916
H7	2.1599	3.1145	1.0980	2.8480	1.7916	3.8307		1.7682	3.2065	2.6749
H8	2.1599	3.1145	1.0980	2.8480	1.7916	3.8307	1.7682		2.6749	3.2065
H9	2.1599	3.1145	2.8480	1.0980	3.8307	1.7916	3.2065	2.6749		1.7682
H10	2.1599	3.1145	2.8480	1.0980	3.8307	1.7916	2.6749	3.2065	1.7682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	109.504	C1	C3	H7	110.316
C1	C3	H8	110.316	C1	C4	H6	109.504
C1	C4	H9	110.316	C1	C4	H10	110.316
O2	C1	C3	121.724	O2	C1	C4	121.724
C3	C1	C4	116.552	H5	C3	H7	109.709
H5	C3	H8	109.709	H6	C4	H9	109.709
H6	C4	H10	109.709	H7	C3	H8	107.259
H9	C4	H10	107.259

All results from a given calculation for CH₃COCH₃ (Acetone)

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

All results from a given calculation for CH₃COCH₃ (Acetone)