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	hartrees
Energy at 0K	-628.392227
Energy at 298.15K
HF Energy	-628.392227
Nuclear repulsion energy	275.369277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3195	3060	0.58
2	A₁	3082	2952	0.97
3	A₁	1450	1389	1.36
4	A₁	1335	1279	26.91
5	A₁	1188	1138	137.38
6	A₁	996	953	4.14
7	A₁	690	661	10.04
8	A₁	487	466	22.02
9	A₁	265	254	2.57
10	A₂	3198	3063	0.00
11	A₂	1435	1375	0.00
12	A₂	911	873	0.00
13	A₂	284	272	0.00
14	A₂	174	166	0.00
15	B₁	3202	3067	2.23
16	B₁	1456	1395	0.29
17	B₁	1394	1335	211.53
18	B₁	973	932	2.37
19	B₁	345	331	0.10
20	B₁	207	198	0.44
21	B₂	3193	3058	0.73
22	B₂	3080	2950	0.16
23	B₂	1440	1379	5.37
24	B₂	1317	1262	14.44
25	B₂	930	891	81.30
26	B₂	743	712	33.42
27	B₂	449	430	30.14

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.192
O2	-1.250	0.000	0.905
O3	1.250	0.000	0.905
C4	0.000	1.396	-0.911
C5	0.000	-1.396	-0.911
H6	0.000	2.276	-0.268
H7	0.000	-2.276	-0.268
H8	0.901	1.380	-1.522
H9	-0.901	1.380	-1.522
H10	-0.901	-1.380	-1.522
H11	0.901	-1.380	-1.522

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4397	1.4397	1.7792	1.7792	2.3223	2.3223	2.3780	2.3780	2.3780	2.3780
O2	1.4397		2.5006	2.6100	2.6100	2.8498	2.8498	3.5252	2.8146	2.8146	3.5252
O3	1.4397	2.5006		2.6100	2.6100	2.8498	2.8498	2.8146	3.5252	3.5252	2.8146
C4	1.7792	2.6100	2.6100		2.7929	1.0900	3.7287	1.0889	1.0889	2.9826	2.9826
C5	1.7792	2.6100	2.6100	2.7929		3.7287	1.0900	2.9826	2.9826	1.0889	1.0889
H6	2.3223	2.8498	2.8498	1.0900	3.7287		4.5528	1.7857	1.7857	3.9696	3.9696
H7	2.3223	2.8498	2.8498	3.7287	1.0900	4.5528		3.9696	3.9696	1.7857	1.7857
H8	2.3780	3.5252	2.8146	1.0889	2.9826	1.7857	3.9696		1.8015	3.2964	2.7607
H9	2.3780	2.8146	3.5252	1.0889	2.9826	1.7857	3.9696	1.8015		2.7607	3.2964
H10	2.3780	2.8146	3.5252	2.9826	1.0889	3.9696	1.7857	3.2964	2.7607		1.8015
H11	2.3780	3.5252	2.8146	2.9826	1.0889	3.9696	1.7857	2.7607	3.2964	1.8015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.545	S1	C4	H8	109.661
S1	C4	H9	109.661	S1	C5	H7	105.545
S1	C5	H10	109.661	S1	C5	H11	109.661
O2	S1	O3	120.559	O2	S1	C4	107.891
O2	S1	C5	107.891	O3	S1	C4	107.891
O3	S1	C5	107.891	C4	S1	C5	103.418
H6	C4	H8	110.086	H6	C4	H9	110.086
H7	C5	H10	110.086	H7	C5	H11	110.086
H8	C4	H9	111.623	H10	C5	H11	111.623

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

using model chemistry: B1B95/6-31G(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	-0.291
3	O	-0.291
4	C	-0.484
5	C	-0.484
6	H	0.192
7	H	0.192
8	H	0.169
9	H	0.169
10	H	0.169
11	H	0.169

<r²>	125.578
(<r²>)^1/2	11.206

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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