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	hartrees
Energy at 0K	-628.451346
Energy at 298.15K
HF Energy	-628.451346
Nuclear repulsion energy	273.461946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3166	3055	1.38
2	A₁	3064	2956	1.41
3	A₁	1458	1407	1.26
4	A₁	1345	1298	16.33
5	A₁	1166	1125	142.24
6	A₁	1002	966	1.95
7	A₁	665	641	11.45
8	A₁	482	465	20.88
9	A₁	267	257	2.52
10	A₂	3168	3057	0.00
11	A₂	1445	1394	0.00
12	A₂	924	892	0.00
13	A₂	287	277	0.00
14	A₂	167	161	0.00
15	B₁	3172	3061	4.05
16	B₁	1463	1411	3.12
17	B₁	1367	1319	201.65
18	B₁	982	948	1.57
19	B₁	349	337	0.14
20	B₁	198	191	0.41
21	B₂	3164	3054	0.26
22	B₂	3061	2954	0.00
23	B₂	1448	1398	5.30
24	B₂	1329	1283	8.16
25	B₂	936	903	68.54
26	B₂	724	698	42.47
27	B₂	447	431	29.07

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.196
O2	-1.257	0.000	0.913
O3	1.257	0.000	0.913
C4	0.000	1.409	-0.921
C5	0.000	-1.409	-0.921
H6	0.000	2.294	-0.281
H7	0.000	-2.294	-0.281
H8	0.902	1.390	-1.534
H9	-0.902	1.390	-1.534
H10	-0.902	-1.390	-1.534
H11	0.902	-1.390	-1.534

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4468	1.4468	1.7982	1.7982	2.3434	2.3434	2.3953	2.3953	2.3953	2.3953
O2	1.4468		2.5136	2.6320	2.6320	2.8756	2.8756	3.5465	2.8361	2.8361	3.5465
O3	1.4468	2.5136		2.6320	2.6320	2.8756	2.8756	2.8361	3.5465	3.5465	2.8361
C4	1.7982	2.6320	2.6320		2.8189	1.0916	3.7585	1.0908	1.0908	3.0044	3.0044
C5	1.7982	2.6320	2.6320	2.8189		3.7585	1.0916	3.0044	3.0044	1.0908	1.0908
H6	2.3434	2.8756	2.8756	1.0916	3.7585		4.5885	1.7889	1.7889	3.9944	3.9944
H7	2.3434	2.8756	2.8756	3.7585	1.0916	4.5885		3.9944	3.9944	1.7889	1.7889
H8	2.3953	3.5465	2.8361	1.0908	3.0044	1.7889	3.9944		1.8038	3.3139	2.7799
H9	2.3953	2.8361	3.5465	1.0908	3.0044	1.7889	3.9944	1.8038		2.7799	3.3139
H10	2.3953	2.8361	3.5465	3.0044	1.0908	3.9944	1.7889	3.3139	2.7799		1.8038
H11	2.3953	3.5465	2.8361	3.0044	1.0908	3.9944	1.7889	2.7799	3.3139	1.8038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.763	S1	C4	H8	109.575
S1	C4	H9	109.575	S1	C5	H7	105.763
S1	C5	H10	109.575	S1	C5	H11	109.575
O2	S1	O3	120.608	O2	S1	C4	107.916
O2	S1	C5	107.916	O3	S1	C4	107.916
O3	S1	C5	107.916	C4	S1	C5	103.227
H6	C4	H8	110.104	H6	C4	H9	110.104
H7	C5	H10	110.104	H7	C5	H11	110.104
H8	C4	H9	111.554	H10	C5	H11	111.554

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

using model chemistry: B3LYPultrafine/6-31G(2df,p)

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	0.491
2	O	-0.293
3	O	-0.293
4	C	-0.449
5	C	-0.449
6	H	0.180
7	H	0.180
8	H	0.158
9	H	0.158
10	H	0.158
11	H	0.158

<r²>	127.369
(<r²>)^1/2	11.286

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

using model chemistry: B3LYPultrafine/6-31G(2df,p)

States and conformations

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