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	hartrees
Energy at 0K	-628.308396
Energy at 298.15K
HF Energy	-628.308396
Nuclear repulsion energy	275.527433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3201	3049	0.02
2	A₁	3091	2943	0.43
3	A₁	1460	1391	1.36
4	A₁	1352	1287	34.04
5	A₁	1211	1153	147.37
6	A₁	1009	961	4.08
7	A₁	709	675	9.75
8	A₁	498	474	24.93
9	A₁	273	260	2.53
10	A₂	3206	3053	0.00
11	A₂	1450	1381	0.00
12	A₂	925	881	0.00
13	A₂	293	279	0.00
14	A₂	199	189	0.00
15	B₁	3210	3057	0.81
16	B₁	1471	1401	0.30
17	B₁	1414	1347	230.75
18	B₁	987	940	1.77
19	B₁	355	338	0.23
20	B₁	233	222	0.47
21	B₂	3200	3048	1.35
22	B₂	3089	2942	0.54
23	B₂	1450	1381	5.72
24	B₂	1333	1270	15.81
25	B₂	947	902	84.26
26	B₂	761	725	30.28
27	B₂	460	438	35.75

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.193
O2	-1.249	0.000	0.906
O3	1.249	0.000	0.906
C4	0.000	1.395	-0.912
C5	0.000	-1.395	-0.912
H6	0.000	2.277	-0.270
H7	0.000	-2.277	-0.270
H8	0.903	1.372	-1.522
H9	-0.903	1.372	-1.522
H10	-0.903	-1.372	-1.522
H11	0.903	-1.372	-1.522

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4383	1.4383	1.7792	1.7792	2.3232	2.3232	2.3741	2.3741	2.3741	2.3741
O2	1.4383		2.4982	2.6094	2.6094	2.8505	2.8505	3.5220	2.8098	2.8098	3.5220
O3	1.4383	2.4982		2.6094	2.6094	2.8505	2.8505	2.8098	3.5220	3.5220	2.8098
C4	1.7792	2.6094	2.6094		2.7900	1.0907	3.7274	1.0895	1.0895	2.9738	2.9738
C5	1.7792	2.6094	2.6094	2.7900		3.7274	1.0907	2.9738	2.9738	1.0895	1.0895
H6	2.3232	2.8505	2.8505	1.0907	3.7274		4.5534	1.7888	1.7888	3.9618	3.9618
H7	2.3232	2.8505	2.8505	3.7274	1.0907	4.5534		3.9618	3.9618	1.7888	1.7888
H8	2.3741	3.5220	2.8098	1.0895	2.9738	1.7888	3.9618		1.8050	3.2848	2.7444
H9	2.3741	2.8098	3.5220	1.0895	2.9738	1.7888	3.9618	1.8050		2.7444	3.2848
H10	2.3741	2.8098	3.5220	2.9738	1.0895	3.9618	1.7888	3.2848	2.7444		1.8050
H11	2.3741	3.5220	2.8098	2.9738	1.0895	3.9618	1.7888	2.7444	3.2848	1.8050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.576	S1	C4	H8	109.334
S1	C4	H9	109.334	S1	C5	H7	105.576
S1	C5	H10	109.334	S1	C5	H11	109.334
O2	S1	O3	120.562	O2	S1	C4	107.921
O2	S1	C5	107.921	O3	S1	C4	107.921
O3	S1	C5	107.921	C4	S1	C5	103.265
H6	C4	H8	110.269	H6	C4	H9	110.269
H7	C5	H10	110.269	H7	C5	H11	110.269
H8	C4	H9	111.858	H10	C5	H11	111.858

All results from a given calculation for C₂H₆O₂S (Dimethyl sulfone)

using model chemistry: M06-2X/6-31G(2df,p)

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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Number	Element	Mulliken
1	S	0.580
2	O	-0.332
3	O	-0.332
4	C	-0.509
5	C	-0.509
6	H	0.200
7	H	0.200
8	H	0.175
9	H	0.175
10	H	0.175
11	H	0.175

<r²>	125.650
(<r²>)^1/2	11.209

All results from a given calculation for C2H6O2S (Dimethyl sulfone)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₆O₂S (Dimethyl sulfone)