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	hartrees
Energy at 0K	-627.965033
Energy at 298.15K
HF Energy	-627.965033
Nuclear repulsion energy	268.942787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3127	3084	0.59
2	A₁	3013	2972	1.37
3	A₁	1424	1404	2.44
4	A₁	1308	1290	14.26
5	A₁	1104	1089	145.26
6	A₁	977	964	0.65
7	A₁	638	629	13.44
8	A₁	456	450	17.98
9	A₁	255	252	2.41
10	A₂	3125	3082	0.00
11	A₂	1411	1392	0.00
12	A₂	903	891	0.00
13	A₂	265	261	0.00
14	A₂	183	180	0.00
15	B₁	3129	3086	2.54
16	B₁	1428	1409	9.28
17	B₁	1298	1280	191.92
18	B₁	959	946	1.75
19	B₁	338	334	0.25
20	B₁	210	208	0.48
21	B₂	3126	3083	0.67
22	B₂	3011	2970	0.10
23	B₂	1414	1394	8.41
24	B₂	1288	1271	12.50
25	B₂	915	903	62.04
26	B₂	703	694	53.84
27	B₂	417	411	25.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.197
O2	-1.291	0.000	0.926
O3	1.291	0.000	0.926
C4	0.000	1.423	-0.933
C5	0.000	-1.423	-0.933
H6	0.000	2.314	-0.289
H7	0.000	-2.314	-0.289
H8	0.908	1.405	-1.550
H9	-0.908	1.405	-1.550
H10	-0.908	-1.405	-1.550
H11	0.908	-1.405	-1.550

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4828	1.4828	1.8171	1.8171	2.3645	2.3645	2.4191	2.4191	2.4191	2.4191
O2	1.4828		2.5830	2.6734	2.6734	2.9151	2.9151	3.5978	2.8724	2.8724	3.5978
O3	1.4828	2.5830		2.6734	2.6734	2.9151	2.9151	2.8724	3.5978	3.5978	2.8724
C4	1.8171	2.6734	2.6734		2.8464	1.0992	3.7923	1.0988	1.0988	3.0337	3.0337
C5	1.8171	2.6734	2.6734	2.8464		3.7923	1.0992	3.0337	3.0337	1.0988	1.0988
H6	2.3645	2.9151	2.9151	1.0992	3.7923		4.6281	1.8012	1.8012	4.0306	4.0306
H7	2.3645	2.9151	2.9151	3.7923	1.0992	4.6281		4.0306	4.0306	1.8012	1.8012
H8	2.4191	3.5978	2.8724	1.0988	3.0337	1.8012	4.0306		1.8170	3.3456	2.8092
H9	2.4191	2.8724	3.5978	1.0988	3.0337	1.8012	4.0306	1.8170		2.8092	3.3456
H10	2.4191	2.8724	3.5978	3.0337	1.0988	4.0306	1.8012	3.3456	2.8092		1.8170
H11	2.4191	3.5978	2.8724	3.0337	1.0988	4.0306	1.8012	2.8092	3.3456	1.8170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.701	S1	C4	H8	109.653
S1	C4	H9	109.653	S1	C5	H7	105.701
S1	C5	H10	109.653	S1	C5	H11	109.653
O2	S1	O3	121.140	O2	S1	C4	107.788
O2	S1	C5	107.788	O3	S1	C4	107.788
O3	S1	C5	107.788	C4	S1	C5	103.114
H6	C4	H8	110.063	H6	C4	H9	110.063
H7	C5	H10	110.063	H7	C5	H11	110.063
H8	C4	H9	111.542	H10	C5	H11	111.542

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

using model chemistry: PBEPBE/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	0.972
2	O	-0.481
3	O	-0.481
4	C	-0.546
5	C	-0.546
6	H	0.197
7	H	0.197
8	H	0.172
9	H	0.172
10	H	0.172
11	H	0.172

<r²>	130.766
(<r²>)^1/2	11.435

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

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

States and conformations

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