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	hartrees
Energy at 0K	-628.109030
Energy at 298.15K
HF Energy	-628.109030
Nuclear repulsion energy	273.252814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3190	3061	1.02
2	A₁	3084	2960	2.12
3	A₁	1472	1413	5.13
4	A₁	1376	1320	24.12
5	A₁	1153	1107	189.78
6	A₁	1024	982	0.54
7	A₁	685	658	10.88
8	A₁	480	461	27.73
9	A₁	271	260	2.55
10	A₂	3195	3066	0.00
11	A₂	1458	1399	0.00
12	A₂	947	909	0.00
13	A₂	291	279	0.00
14	A₂	189	181	0.00
15	B₁	3199	3070	3.26
16	B₁	1477	1417	15.16
17	B₁	1345	1290	247.27
18	B₁	1009	969	1.75
19	B₁	357	343	0.60
20	B₁	220	212	0.70
21	B₂	3189	3060	0.41
22	B₂	3082	2957	0.00
23	B₂	1462	1403	8.15
24	B₂	1355	1301	25.51
25	B₂	961	922	72.78
26	B₂	750	720	46.58
27	B₂	452	433	38.88

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.191
O2	-1.266	0.000	0.911
O3	1.266	0.000	0.911
C4	0.000	1.406	-0.915
C5	0.000	-1.406	-0.915
H6	0.000	2.286	-0.271
H7	0.000	-2.286	-0.271
H8	0.902	1.395	-1.526
H9	-0.902	1.395	-1.526
H10	-0.902	-1.395	-1.526
H11	0.902	-1.395	-1.526

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4561	1.4561	1.7888	1.7888	2.3319	2.3319	2.3890	2.3890	2.3890	2.3890
O2	1.4561		2.5311	2.6292	2.6292	2.8676	2.8676	3.5472	2.8316	2.8316	3.5472
O3	1.4561	2.5311		2.6292	2.6292	2.8676	2.8676	2.8316	3.5472	3.5472	2.8316
C4	1.7888	2.6292	2.6292		2.8122	1.0902	3.7476	1.0893	1.0893	3.0057	3.0057
C5	1.7888	2.6292	2.6292	2.8122		3.7476	1.0902	3.0057	3.0057	1.0893	1.0893
H6	2.3319	2.8676	2.8676	1.0902	3.7476		4.5715	1.7836	1.7836	3.9923	3.9923
H7	2.3319	2.8676	2.8676	3.7476	1.0902	4.5715		3.9923	3.9923	1.7836	1.7836
H8	2.3890	3.5472	2.8316	1.0893	3.0057	1.7836	3.9923		1.8034	3.3226	2.7906
H9	2.3890	2.8316	3.5472	1.0893	3.0057	1.7836	3.9923	1.8034		2.7906	3.3226
H10	2.3890	2.8316	3.5472	3.0057	1.0893	3.9923	1.7836	3.3226	2.7906		1.8034
H11	2.3890	3.5472	2.8316	3.0057	1.0893	3.9923	1.7836	2.7906	3.3226	1.8034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.610	S1	C4	H8	109.813
S1	C4	H9	109.813	S1	C5	H7	105.610
S1	C5	H10	109.813	S1	C5	H11	109.813
O2	S1	O3	120.724	O2	S1	C4	107.800
O2	S1	C5	107.800	O3	S1	C4	107.800
O3	S1	C5	107.800	C4	S1	C5	103.637
H6	C4	H8	109.840	H6	C4	H9	109.840
H7	C5	H10	109.840	H7	C5	H11	109.840
H8	C4	H9	111.742	H10	C5	H11	111.742

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

using model chemistry: HSEh1PBE/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	0.994
2	O	-0.499
3	O	-0.499
4	C	-0.846
5	C	-0.846
6	H	0.302
7	H	0.302
8	H	0.273
9	H	0.273
10	H	0.273
11	H	0.273

<r²>	128.009
(<r²>)^1/2	11.314

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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