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	hartrees
Energy at 0K	-627.162560
Energy at 298.15K
HF Energy	-626.462540
Nuclear repulsion energy	276.010854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3281	3048	0.76
2	A₁	3179	2953	1.78
3	A₁	1541	1432	5.52
4	A₁	1469	1365	26.72
5	A₁	1220	1133	220.46
6	A₁	1086	1009	0.17
7	A₁	746	693	9.20
8	A₁	518	481	40.15
9	A₁	289	269	2.54
10	A₂	3287	3054	0.00
11	A₂	1529	1420	0.00
12	A₂	1010	938	0.00
13	A₂	316	294	0.00
14	A₂	199	185	0.00
15	B₁	3292	3058	2.81
16	B₁	1546	1436	14.70
17	B₁	1418	1317	294.37
18	B₁	1075	999	1.37
19	B₁	384	356	1.33
20	B₁	232	216	0.72
21	B₂	3279	3047	0.32
22	B₂	3175	2950	0.00
23	B₂	1532	1423	6.52
24	B₂	1451	1348	26.40
25	B₂	1026	953	79.14
26	B₂	814	756	41.58
27	B₂	489	454	56.27

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.188
O2	-1.249	0.000	0.902
O3	1.249	0.000	0.902
C4	0.000	1.396	-0.904
C5	0.000	-1.396	-0.904
H6	0.000	2.275	-0.268
H7	0.000	-2.275	-0.268
H8	0.896	1.385	-1.513
H9	-0.896	1.385	-1.513
H10	-0.896	-1.385	-1.513
H11	0.896	-1.385	-1.513

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4385	1.4385	1.7723	1.7723	2.3199	2.3199	2.3689	2.3689	2.3689	2.3689
O2	1.4385		2.4980	2.6016	2.6016	2.8464	2.8464	3.5137	2.8053	2.8053	3.5137
O3	1.4385	2.4980		2.6016	2.6016	2.8464	2.8464	2.8053	3.5137	3.5137	2.8053
C4	1.7723	2.6016	2.6016		2.7926	1.0843	3.7256	1.0833	1.0833	2.9845	2.9845
C5	1.7723	2.6016	2.6016	2.7926		3.7256	1.0843	2.9845	2.9845	1.0833	1.0833
H6	2.3199	2.8464	2.8464	1.0843	3.7256		4.5494	1.7730	1.7730	3.9678	3.9678
H7	2.3199	2.8464	2.8464	3.7256	1.0843	4.5494		3.9678	3.9678	1.7730	1.7730
H8	2.3689	3.5137	2.8053	1.0833	2.9845	1.7730	3.9678		1.7919	3.2986	2.7695
H9	2.3689	2.8053	3.5137	1.0833	2.9845	1.7730	3.9678	1.7919		2.7695	3.2986
H10	2.3689	2.8053	3.5137	2.9845	1.0833	3.9678	1.7730	3.2986	2.7695		1.7919
H11	2.3689	3.5137	2.8053	2.9845	1.0833	3.9678	1.7730	2.7695	3.2986	1.7919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.087	S1	C4	H8	109.739
S1	C4	H9	109.739	S1	C5	H7	106.087
S1	C5	H10	109.739	S1	C5	H11	109.739
O2	S1	O3	120.511	O2	S1	C4	107.792
O2	S1	C5	107.792	O3	S1	C4	107.792
O3	S1	C5	107.792	C4	S1	C5	103.966
H6	C4	H8	109.764	H6	C4	H9	109.764
H7	C5	H10	109.764	H7	C5	H11	109.764
H8	C4	H9	111.597	H10	C5	H11	111.597

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

using model chemistry: CID/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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All results from a given calculation for C2H6O2S (Dimethyl sulfone)

using model chemistry: CID/6-311G*

States and conformations

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