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	hartrees
Energy at 0K	-56.975711
Energy at 298.15K
HF Energy	-56.975711
Nuclear repulsion energy	108.397002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3184	3184	4.34
2	A₁	3077	3077	4.82
3	A₁	1466	1466	3.81
4	A₁	1377	1377	19.03
5	A₁	1149	1149	179.89
6	A₁	1015	1015	0.15
7	A₁	680	680	10.68
8	A₁	463	463	28.32
9	A₁	263	263	2.38
10	A₂	3186	3186	0.00
11	A₂	1468	1468	0.00
12	A₂	945	945	0.00
13	A₂	287	287	0.00
14	A₂	184	184	0.00
15	B₁	3190	3190	10.18
16	B₁	1484	1484	12.90
17	B₁	1335	1335	265.33
18	B₁	1002	1002	0.27
19	B₁	350	350	0.93
20	B₁	224	224	0.68
21	B₂	3182	3182	0.11
22	B₂	3074	3074	1.70
23	B₂	1457	1457	8.43
24	B₂	1358	1358	14.88
25	B₂	950	950	63.87
26	B₂	745	745	45.05
27	B₂	438	438	41.68

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.191
O2	-1.279	0.000	0.922
O3	1.279	0.000	0.922
C4	0.000	1.425	-0.925
C5	0.000	-1.425	-0.925
H6	0.000	2.307	-0.280
H7	0.000	-2.307	-0.280
H8	0.905	1.406	-1.537
H9	-0.905	1.406	-1.537
H10	-0.905	-1.406	-1.537
H11	0.905	-1.406	-1.537

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4731	1.4731	1.8101	1.8101	2.3546	2.3546	2.4048	2.4048	2.4048	2.4048
O2	1.4731		2.5587	2.6603	2.6603	2.8987	2.8987	3.5767	2.8570	2.8570	3.5767
O3	1.4731	2.5587		2.6603	2.6603	2.8987	2.8987	2.8570	3.5767	3.5767	2.8570
C4	1.8101	2.6603	2.6603		2.8492	1.0930	3.7869	1.0925	1.0925	3.0338	3.0338
C5	1.8101	2.6603	2.6603	2.8492		3.7869	1.0930	3.0338	3.0338	1.0925	1.0925
H6	2.3546	2.8987	2.8987	1.0930	3.7869		4.6138	1.7921	1.7921	4.0227	4.0227
H7	2.3546	2.8987	2.8987	3.7869	1.0930	4.6138		4.0227	4.0227	1.7921	1.7921
H8	2.4048	3.5767	2.8570	1.0925	3.0338	1.7921	4.0227		1.8095	3.3434	2.8113
H9	2.4048	2.8570	3.5767	1.0925	3.0338	1.7921	4.0227	1.8095		2.8113	3.3434
H10	2.4048	2.8570	3.5767	3.0338	1.0925	4.0227	1.7921	3.3434	2.8113		1.8095
H11	2.4048	3.5767	2.8570	3.0338	1.0925	4.0227	1.7921	2.8113	3.3434	1.8095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.733	S1	C4	H8	109.388
S1	C4	H9	109.388	S1	C5	H7	105.733
S1	C5	H10	109.388	S1	C5	H11	109.388
O2	S1	O3	120.564	O2	S1	C4	107.807
O2	S1	C5	107.807	O3	S1	C4	107.807
O3	S1	C5	107.807	C4	S1	C5	103.819
H6	C4	H8	110.162	H6	C4	H9	110.162
H7	C5	H10	110.162	H7	C5	H11	110.162
H8	C4	H9	111.821	H10	C5	H11	111.821

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

using model chemistry: wB97X-D/CEP-121G*

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	0.845
2	O	-0.450
3	O	-0.450
4	C	-0.646
5	C	-0.646
6	H	0.246
7	H	0.246
8	H	0.214
9	H	0.214
10	H	0.214
11	H	0.214

<r²>	107.694
(<r²>)^1/2	10.378

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

using model chemistry: wB97X-D/CEP-121G*

States and conformations

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