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	hartrees
Energy at 0K	-628.355794
Energy at 298.15K
HF Energy	-628.355794
Nuclear repulsion energy	269.762165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3086	3069	2.85
2	A₁	2986	2970	2.20
3	A₁	1423	1416	0.78
4	A₁	1297	1290	8.65
5	A₁	1102	1096	128.29
6	A₁	966	960	0.54
7	A₁	610	606	13.08
8	A₁	453	450	15.26
9	A₁	255	254	2.32
10	A₂	3085	3068	0.00
11	A₂	1410	1402	0.00
12	A₂	890	885	0.00
13	A₂	269	267	0.00
14	A₂	170	169	0.00
15	B₁	3089	3072	7.01
16	B₁	1427	1419	4.24
17	B₁	1299	1292	170.11
18	B₁	944	939	1.08
19	B₁	332	330	0.07
20	B₁	198	197	0.37
21	B₂	3085	3068	0.01
22	B₂	2983	2967	0.24
23	B₂	1414	1406	5.19
24	B₂	1280	1273	2.89
25	B₂	901	896	54.64
26	B₂	672	668	50.55
27	B₂	419	417	21.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.203
O2	-1.276	0.000	0.925
O3	1.276	0.000	0.925
C4	0.000	1.429	-0.937
C5	0.000	-1.429	-0.937
H6	0.000	2.320	-0.294
H7	0.000	-2.320	-0.294
H8	0.908	1.407	-1.554
H9	-0.908	1.407	-1.554
H10	-0.908	-1.407	-1.554
H11	0.908	-1.407	-1.554

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4660	1.4660	1.8277	1.8277	2.3727	2.3727	2.4269	2.4269	2.4269	2.4269
O2	1.4660		2.5523	2.6710	2.6710	2.9149	2.9149	3.5905	2.8737	2.8737	3.5905
O3	1.4660	2.5523		2.6710	2.6710	2.9149	2.9149	2.8737	3.5905	3.5905	2.8737
C4	1.8277	2.6710	2.6710		2.8579	1.0985	3.8036	1.0981	1.0981	3.0407	3.0407
C5	1.8277	2.6710	2.6710	2.8579		3.8036	1.0985	3.0407	3.0407	1.0981	1.0981
H6	2.3727	2.9149	2.9149	1.0985	3.8036		4.6401	1.8016	1.8016	4.0372	4.0372
H7	2.3727	2.9149	2.9149	3.8036	1.0985	4.6401		4.0372	4.0372	1.8016	1.8016
H8	2.4269	3.5905	2.8737	1.0981	3.0407	1.8016	4.0372		1.8153	3.3481	2.8132
H9	2.4269	2.8737	3.5905	1.0981	3.0407	1.8016	4.0372	1.8153		2.8132	3.3481
H10	2.4269	2.8737	3.5905	3.0407	1.0981	4.0372	1.8016	3.3481	2.8132		1.8153
H11	2.4269	3.5905	2.8737	3.0407	1.0981	4.0372	1.8016	2.8132	3.3481	1.8153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.641	S1	C4	H8	109.558
S1	C4	H9	109.558	S1	C5	H7	105.641
S1	C5	H10	109.558	S1	C5	H11	109.558
O2	S1	O3	121.028	O2	S1	C4	107.872
O2	S1	C5	107.872	O3	S1	C4	107.872
O3	S1	C5	107.872	C4	S1	C5	102.857
H6	C4	H8	110.205	H6	C4	H9	110.205
H7	C5	H10	110.205	H7	C5	H11	110.205
H8	C4	H9	111.503	H10	C5	H11	111.503

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

using model chemistry: BLYP/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	0.409
2	O	-0.253
3	O	-0.253
4	C	-0.397
5	C	-0.397
6	H	0.163
7	H	0.163
8	H	0.141
9	H	0.141
10	H	0.141
11	H	0.141

<r²>	130.367
(<r²>)^1/2	11.418

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

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

States and conformations

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