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	hartrees
Energy at 0K	-628.317762
Energy at 298.15K
HF Energy	-628.317762
Nuclear repulsion energy	266.886297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3106	3083	2.17
2	A₁	3002	2979	2.28
3	A₁	1438	1427	1.77
4	A₁	1317	1306	6.80
5	A₁	1077	1069	141.71
6	A₁	973	965	0.82
7	A₁	603	598	14.85
8	A₁	446	443	16.27
9	A₁	251	249	2.20
10	A₂	3104	3080	0.00
11	A₂	1428	1417	0.00
12	A₂	908	901	0.00
13	A₂	261	259	0.00
14	A₂	180	179	0.00
15	B₁	3108	3084	6.32
16	B₁	1443	1432	9.45
17	B₁	1260	1250	179.14
18	B₁	960	952	0.48
19	B₁	334	331	0.34
20	B₁	205	203	0.41
21	B₂	3105	3081	0.03
22	B₂	2999	2976	0.10
23	B₂	1429	1418	7.27
24	B₂	1297	1287	3.79
25	B₂	917	910	50.00
26	B₂	675	670	60.77
27	B₂	405	402	23.55

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.201
O2	-1.298	0.000	0.933
O3	1.298	0.000	0.933
C4	0.000	1.442	-0.943
C5	0.000	-1.442	-0.943
H6	0.000	2.331	-0.299
H7	0.000	-2.331	-0.299
H8	0.908	1.419	-1.559
H9	-0.908	1.419	-1.559
H10	-0.908	-1.419	-1.559
H11	0.908	-1.419	-1.559

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4906	1.4906	1.8409	1.8409	2.3841	2.3841	2.4369	2.4369	2.4369	2.4369
O2	1.4906		2.5968	2.6993	2.6993	2.9391	2.9391	3.6190	2.8948	2.8948	3.6190
O3	1.4906	2.5968		2.6993	2.6993	2.9391	2.9391	2.8948	3.6190	3.6190	2.8948
C4	1.8409	2.6993	2.6993		2.8840	1.0980	3.8277	1.0978	1.0978	3.0646	3.0646
C5	1.8409	2.6993	2.6993	2.8840		3.8277	1.0980	3.0646	3.0646	1.0978	1.0978
H6	2.3841	2.9391	2.9391	1.0980	3.8277		4.6622	1.8014	1.8014	4.0594	4.0594
H7	2.3841	2.9391	2.9391	3.8277	1.0980	4.6622		4.0594	4.0594	1.8014	1.8014
H8	2.4369	3.6190	2.8948	1.0978	3.0646	1.8014	4.0594		1.8165	3.3701	2.8386
H9	2.4369	2.8948	3.6190	1.0978	3.0646	1.8014	4.0594	1.8165		2.8386	3.3701
H10	2.4369	2.8948	3.6190	3.0646	1.0978	4.0594	1.8014	3.3701	2.8386		1.8165
H11	2.4369	3.6190	2.8948	3.0646	1.0978	4.0594	1.8014	2.8386	3.3701	1.8165

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.637	S1	C4	H8	109.432
S1	C4	H9	109.432	S1	C5	H7	105.637
S1	C5	H10	109.432	S1	C5	H11	109.432
O2	S1	O3	121.165	O2	S1	C4	107.777
O2	S1	C5	107.777	O3	S1	C4	107.777
O3	S1	C5	107.777	C4	S1	C5	103.131
H6	C4	H8	110.249	H6	C4	H9	110.249
H7	C5	H10	110.249	H7	C5	H11	110.249
H8	C4	H9	111.661	H10	C5	H11	111.661

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

using model chemistry: BLYP/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	0.977
2	O	-0.488
3	O	-0.488
4	C	-0.457
5	C	-0.457
6	H	0.168
7	H	0.168
8	H	0.144
9	H	0.144
10	H	0.144
11	H	0.144

<r²>	132.761
(<r²>)^1/2	11.522

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

using model chemistry: BLYP/6-31G**

States and conformations

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