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	hartrees
Energy at 0K	-626.118796
Energy at 298.15K
HF Energy	-626.118796
Nuclear repulsion energy	254.650057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3381	3053	1.38
2	A₁	3256	2940	4.58
3	A₁	1601	1446	8.63
4	A₁	1535	1386	0.97
5	A₁	1189	1074	32.69
6	A₁	763	689	3.92
7	A₁	610	550	0.64
8	A₁	334	302	37.22
9	A₁	242	219	7.43
10	A₂	3382	3053	0.00
11	A₂	1605	1449	0.00
12	A₂	1100	993	0.00
13	A₂	230	208	0.00
14	A₂	155	140	0.00
15	B₁	3384	3055	0.23
16	B₁	1616	1459	42.41
17	B₁	1174	1060	15.65
18	B₁	852	770	0.99
19	B₁	282	255	0.84
20	B₁	175	158	0.72
21	B₂	3380	3052	4.19
22	B₂	3254	2938	0.32
23	B₂	1591	1437	15.91
24	B₂	1511	1364	0.01
25	B₂	1087	981	12.75
26	B₂	776	700	4.63
27	B₂	313	283	57.47

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.157
O2	-1.448	0.000	0.977
O3	1.448	0.000	0.977
C4	0.000	1.467	-0.947
C5	0.000	-1.467	-0.947
H6	0.000	2.326	-0.298
H7	0.000	-2.326	-0.298
H8	0.895	1.441	-1.545
H9	-0.895	1.441	-1.545
H10	-0.895	-1.441	-1.545
H11	0.895	-1.441	-1.545

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6637	1.6637	1.8360	1.8360	2.3696	2.3696	2.4026	2.4026	2.4026	2.4026
O2	1.6637		2.8954	2.8194	2.8194	3.0212	3.0212	3.7313	2.9560	2.9560	3.7313
O3	1.6637	2.8954		2.8194	2.8194	3.0212	3.0212	2.9560	3.7313	3.7313	2.9560
C4	1.8360	2.8194	2.8194		2.9332	1.0770	3.8474	1.0765	1.0765	3.1000	3.1000
C5	1.8360	2.8194	2.8194	2.9332		3.8474	1.0770	3.1000	3.1000	1.0765	1.0765
H6	2.3696	3.0212	3.0212	1.0770	3.8474		4.6510	1.7719	1.7719	4.0669	4.0669
H7	2.3696	3.0212	3.0212	3.8474	1.0770	4.6510		4.0669	4.0669	1.7719	1.7719
H8	2.4026	3.7313	2.9560	1.0765	3.1000	1.7719	4.0669		1.7906	3.3922	2.8811
H9	2.4026	2.9560	3.7313	1.0765	3.1000	1.7719	4.0669	1.7906		2.8811	3.3922
H10	2.4026	2.9560	3.7313	3.1000	1.0765	4.0669	1.7719	3.3922	2.8811		1.7906
H11	2.4026	3.7313	2.9560	3.1000	1.0765	4.0669	1.7719	2.8811	3.3922	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.909	S1	C4	H8	108.325
S1	C4	H9	108.325	S1	C5	H7	105.909
S1	C5	H10	108.325	S1	C5	H11	108.325
O2	S1	O3	120.964	O2	S1	C4	107.241
O2	S1	C5	107.241	O3	S1	C4	107.241
O3	S1	C5	107.241	C4	S1	C5	106.034
H6	C4	H8	110.733	H6	C4	H9	110.733
H7	C5	H10	110.733	H7	C5	H11	110.733
H8	C4	H9	112.535	H10	C5	H11	112.535

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

using model chemistry: HF/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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Number	Element	Mulliken
1	S	1.415
2	O	-0.718
3	O	-0.718
4	C	-0.716
5	C	-0.716
6	H	0.266
7	H	0.266
8	H	0.230
9	H	0.230
10	H	0.230
11	H	0.230

<r²>	142.764
(<r²>)^1/2	11.948

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

using model chemistry: HF/6-31G

States and conformations

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