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	hartrees
Energy at 0K	-628.016015
Energy at 298.15K
HF Energy	-627.751057
Nuclear repulsion energy	271.473268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3216	3050	0.69
2	A₁	3111	2951	1.56
3	A₁	1509	1431	2.77
4	A₁	1408	1335	12.91
5	A₁	1150	1090	158.68
6	A₁	1037	983	0.61
7	A₁	684	648	11.26
8	A₁	479	455	24.64
9	A₁	271	257	2.37
10	A₂	3216	3050	0.00
11	A₂	1497	1420	0.00
12	A₂	972	922	0.00
13	A₂	284	270	0.00
14	A₂	194	184	0.00
15	B₁	3220	3054	3.01
16	B₁	1513	1435	12.83
17	B₁	1340	1271	208.17
18	B₁	1027	974	0.65
19	B₁	359	341	0.83
20	B₁	222	211	0.46
21	B₂	3215	3049	0.52
22	B₂	3109	2948	0.01
23	B₂	1500	1422	8.16
24	B₂	1390	1318	12.09
25	B₂	982	931	61.51
26	B₂	760	721	51.13
27	B₂	443	420	35.75

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.193
O2	-1.279	0.000	0.917
O3	1.279	0.000	0.917
C4	0.000	1.411	-0.921
C5	0.000	-1.411	-0.921
H6	0.000	2.297	-0.284
H7	0.000	-2.297	-0.284
H8	0.901	1.395	-1.535
H9	-0.901	1.395	-1.535
H10	-0.901	-1.395	-1.535
H11	0.901	-1.395	-1.535

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4697	1.4697	1.7976	1.7976	2.3464	2.3464	2.3961	2.3961	2.3961	2.3961
O2	1.4697		2.5581	2.6465	2.6465	2.8908	2.8908	3.5647	2.8460	2.8460	3.5647
O3	1.4697	2.5581		2.6465	2.6465	2.8908	2.8908	2.8460	3.5647	3.5647	2.8460
C4	1.7976	2.6465	2.6465		2.8226	1.0909	3.7629	1.0903	1.0903	3.0103	3.0103
C5	1.7976	2.6465	2.6465	2.8226		3.7629	1.0909	3.0103	3.0103	1.0903	1.0903
H6	2.3464	2.8908	2.8908	1.0909	3.7629		4.5948	1.7860	1.7860	4.0008	4.0008
H7	2.3464	2.8908	2.8908	3.7629	1.0909	4.5948		4.0008	4.0008	1.7860	1.7860
H8	2.3961	3.5647	2.8460	1.0903	3.0103	1.7860	4.0008		1.8011	3.3204	2.7894
H9	2.3961	2.8460	3.5647	1.0903	3.0103	1.7860	4.0008	1.8011		2.7894	3.3204
H10	2.3961	2.8460	3.5647	3.0103	1.0903	4.0008	1.7860	3.3204	2.7894		1.8011
H11	2.3961	3.5647	2.8460	3.0103	1.0903	4.0008	1.7860	2.7894	3.3204	1.8011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.047	S1	C4	H8	109.697
S1	C4	H9	109.697	S1	C5	H7	106.047
S1	C5	H10	109.697	S1	C5	H11	109.697
O2	S1	O3	120.975	O2	S1	C4	107.765
O2	S1	C5	107.765	O3	S1	C4	107.765
O3	S1	C5	107.765	C4	S1	C5	103.459
H6	C4	H8	109.940	H6	C4	H9	109.940
H7	C5	H10	109.940	H7	C5	H11	109.940
H8	C4	H9	111.379	H10	C5	H11	111.379

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

using model chemistry: B2PLYP=FULL/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 C2H6O2S (Dimethyl sulfone)

using model chemistry: B2PLYP=FULL/6-31G*

States and conformations

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