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	hartrees
Energy at 0K	-628.400509
Energy at 298.15K
HF Energy	-628.400509
Nuclear repulsion energy	273.542918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3183	3045	0.40
2	A₁	3075	2941	1.62
3	A₁	1456	1393	5.83
4	A₁	1366	1307	25.46
5	A₁	1169	1118	192.60
6	A₁	1018	974	1.80
7	A₁	685	655	11.73
8	A₁	486	465	29.92
9	A₁	275	263	2.64
10	A₂	3187	3049	0.00
11	A₂	1452	1389	0.00
12	A₂	941	900	0.00
13	A₂	300	287	0.00
14	A₂	180	172	0.00
15	B₁	3191	3052	1.89
16	B₁	1467	1404	14.30
17	B₁	1366	1307	255.86
18	B₁	1004	960	1.73
19	B₁	364	348	0.54
20	B₁	217	208	0.67
21	B₂	3182	3043	0.46
22	B₂	3073	2939	0.03
23	B₂	1446	1383	7.84
24	B₂	1348	1290	21.62
25	B₂	957	915	74.37
26	B₂	747	714	45.65
27	B₂	460	440	41.48

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.192
O2	-1.262	0.000	0.910
O3	1.262	0.000	0.910
C4	0.000	1.407	-0.915
C5	0.000	-1.407	-0.915
H6	0.000	2.287	-0.272
H7	0.000	-2.287	-0.272
H8	0.903	1.390	-1.525
H9	-0.903	1.390	-1.525
H10	-0.903	-1.390	-1.525
H11	0.903	-1.390	-1.525

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4521	1.4521	1.7907	1.7907	2.3339	2.3339	2.3857	2.3857	2.3857	2.3857
O2	1.4521		2.5245	2.6276	2.6276	2.8674	2.8674	3.5416	2.8259	2.8259	3.5416
O3	1.4521	2.5245		2.6276	2.6276	2.8674	2.8674	2.8259	3.5416	3.5416	2.8259
C4	1.7907	2.6276	2.6276		2.8150	1.0899	3.7504	1.0892	1.0892	3.0016	3.0016
C5	1.7907	2.6276	2.6276	2.8150		3.7504	1.0899	3.0016	3.0016	1.0892	1.0892
H6	2.3339	2.8674	2.8674	1.0899	3.7504		4.5748	1.7860	1.7860	3.9879	3.9879
H7	2.3339	2.8674	2.8674	3.7504	1.0899	4.5748		3.9879	3.9879	1.7860	1.7860
H8	2.3857	3.5416	2.8259	1.0892	3.0016	1.7860	3.9879		1.8053	3.3140	2.7791
H9	2.3857	2.8259	3.5416	1.0892	3.0016	1.7860	3.9879	1.8053		2.7791	3.3140
H10	2.3857	2.8259	3.5416	3.0016	1.0892	3.9879	1.7860	3.3140	2.7791		1.8053
H11	2.3857	3.5416	2.8259	3.0016	1.0892	3.9879	1.7860	2.7791	3.3140	1.8053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.645	S1	C4	H8	109.446
S1	C4	H9	109.446	S1	C5	H7	105.645
S1	C5	H10	109.446	S1	C5	H11	109.446
O2	S1	O3	120.749	O2	S1	C4	107.795
O2	S1	C5	107.795	O3	S1	C4	107.795
O3	S1	C5	107.795	C4	S1	C5	103.624
H6	C4	H8	110.086	H6	C4	H9	110.086
H7	C5	H10	110.086	H7	C5	H11	110.086
H8	C4	H9	111.935	H10	C5	H11	111.935

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

using model chemistry: wB97X-D/6-311G**

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	0.931
2	O	-0.508
3	O	-0.508
4	C	-0.501
5	C	-0.501
6	H	0.200
7	H	0.200
8	H	0.171
9	H	0.171
10	H	0.171
11	H	0.171

<r²>	127.779
(<r²>)^1/2	11.304

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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