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	hartrees
Energy at 0K	-628.430320
Energy at 298.15K
HF Energy	-628.430320
Nuclear repulsion energy	270.391207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3069	1.20
2	A₁	3078	2963	3.28
3	A₁	1479	1424	3.23
4	A₁	1364	1313	8.98
5	A₁	1118	1076	170.69
6	A₁	1010	972	1.10
7	A₁	652	628	9.07
8	A₁	455	438	23.62
9	A₁	253	244	2.21
10	A₂	3189	3069	0.00
11	A₂	1470	1415	0.00
12	A₂	939	904	0.00
13	A₂	274	263	0.00
14	A₂	183	176	0.00
15	B₁	3192	3072	3.37
16	B₁	1485	1429	10.87
17	B₁	1294	1246	256.66
18	B₁	994	957	0.12
19	B₁	336	324	1.01
20	B₁	211	203	0.40
21	B₂	3187	3067	0.37
22	B₂	3076	2960	0.28
23	B₂	1470	1414	7.22
24	B₂	1344	1294	7.27
25	B₂	946	911	52.01
26	B₂	726	699	49.10
27	B₂	427	411	33.13

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.192
O2	-1.283	0.000	0.920
O3	1.283	0.000	0.920
C4	0.000	1.422	-0.925
C5	0.000	-1.422	-0.925
H6	0.000	2.302	-0.280
H7	0.000	-2.302	-0.280
H8	0.904	1.400	-1.535
H9	-0.904	1.400	-1.535
H10	-0.904	-1.400	-1.535
H11	0.904	-1.400	-1.535

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4756	1.4756	1.8079	1.8079	2.3504	2.3504	2.4002	2.4002	2.4002	2.4002
O2	1.4756		2.5666	2.6594	2.6594	2.8964	2.8964	3.5740	2.8521	2.8521	3.5740
O3	1.4756	2.5666		2.6594	2.6594	2.8964	2.8964	2.8521	3.5740	3.5740	2.8521
C4	1.8079	2.6594	2.6594		2.8436	1.0913	3.7796	1.0908	1.0908	3.0255	3.0255
C5	1.8079	2.6594	2.6594	2.8436		3.7796	1.0913	3.0255	3.0255	1.0908	1.0908
H6	2.3504	2.8964	2.8964	1.0913	3.7796		4.6049	1.7904	1.7904	4.0128	4.0128
H7	2.3504	2.8964	2.8964	3.7796	1.0913	4.6049		4.0128	4.0128	1.7904	1.7904
H8	2.4002	3.5740	2.8521	1.0908	3.0255	1.7904	4.0128		1.8073	3.3332	2.8007
H9	2.4002	2.8521	3.5740	1.0908	3.0255	1.7904	4.0128	1.8073		2.8007	3.3332
H10	2.4002	2.8521	3.5740	3.0255	1.0908	4.0128	1.7904	3.3332	2.8007		1.8073
H11	2.4002	3.5740	2.8521	3.0255	1.0908	4.0128	1.7904	2.8007	3.3332	1.8073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.656	S1	C4	H8	109.284
S1	C4	H9	109.284	S1	C5	H7	105.656
S1	C5	H10	109.284	S1	C5	H11	109.284
O2	S1	O3	120.846	O2	S1	C4	107.750
O2	S1	C5	107.750	O3	S1	C4	107.750
O3	S1	C5	107.750	C4	S1	C5	103.710
H6	C4	H8	110.270	H6	C4	H9	110.270
H7	C5	H10	110.270	H7	C5	H11	110.270
H8	C4	H9	111.878	H10	C5	H11	111.878

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

using model chemistry: TPSSh/6-31+G**

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	0.798
2	O	-0.510
3	O	-0.510
4	C	-0.514
5	C	-0.514
6	H	0.224
7	H	0.224
8	H	0.201
9	H	0.201
10	H	0.201
11	H	0.201

<r²>	130.176
(<r²>)^1/2	11.409

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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