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	hartrees
Energy at 0K	-56.953138
Energy at 298.15K
HF Energy	-56.953138
Nuclear repulsion energy	107.338556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3179	3070	8.75
2	A₁	3074	2968	6.61
3	A₁	1453	1404	3.65
4	A₁	1347	1301	11.98
5	A₁	1100	1063	170.53
6	A₁	992	958	0.72
7	A₁	641	619	9.63
8	A₁	450	434	23.35
9	A₁	250	242	2.13
10	A₂	3180	3071	0.00
11	A₂	1448	1399	0.00
12	A₂	925	893	0.00
13	A₂	273	264	0.00
14	A₂	165	160	0.00
15	B₁	3184	3075	17.11
16	B₁	1463	1413	11.83
17	B₁	1272	1228	229.84
18	B₁	978	944	0.80
19	B₁	332	321	0.84
20	B₁	200	193	0.54
21	B₂	3177	3068	0.17
22	B₂	3071	2965	1.81
23	B₂	1444	1395	7.54
24	B₂	1325	1280	5.98
25	B₂	936	904	61.67
26	B₂	710	686	42.18
27	B₂	422	407	34.40

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.255
O2	-1.290	0.000	0.993
O3	1.290	0.000	0.993
C4	0.000	1.441	-0.878
C5	0.000	-1.441	-0.878
H6	0.000	2.326	-0.223
H7	0.000	-2.326	-0.223
H8	0.912	1.420	-1.493
H9	-0.912	1.420	-1.493
H10	-0.912	-1.420	-1.493
H11	0.912	-1.420	-1.493

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4859	1.4859	1.8332	1.8332	2.3744	2.3744	2.4301	2.4301	2.4301	2.4301
O2	1.4859		2.5800	2.6907	2.6907	2.9243	2.9243	3.6119	2.8877	2.8877	3.6119
O3	1.4859	2.5800		2.6907	2.6907	2.9243	2.9243	2.8877	3.6119	3.6119	2.8877
C4	1.8332	2.6907	2.6907		2.8825	1.1004	3.8235	1.1006	1.1006	3.0658	3.0658
C5	1.8332	2.6907	2.6907	2.8825		3.8235	1.1004	3.0658	3.0658	1.1006	1.1006
H6	2.3744	2.9243	2.9243	1.1004	3.8235		4.6515	1.8069	1.8069	4.0593	4.0593
H7	2.3744	2.9243	2.9243	3.8235	1.1004	4.6515		4.0593	4.0593	1.8069	1.8069
H8	2.4301	3.6119	2.8877	1.1006	3.0658	1.8069	4.0593		1.8245	3.3760	2.8405
H9	2.4301	2.8877	3.6119	1.1006	3.0658	1.8069	4.0593	1.8245		2.8405	3.3760
H10	2.4301	2.8877	3.6119	3.0658	1.1006	4.0593	1.8069	3.3760	2.8405		1.8245
H11	2.4301	3.6119	2.8877	3.0658	1.1006	4.0593	1.8069	2.8405	3.3760	1.8245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.325	S1	C4	H8	109.300
S1	C4	H9	109.300	S1	C5	H7	105.325
S1	C5	H10	109.300	S1	C5	H11	109.300
O2	S1	O3	120.483	O2	S1	C4	107.863
O2	S1	C5	107.863	O3	S1	C4	107.863
O3	S1	C5	107.863	C4	S1	C5	103.660
H6	C4	H8	110.358	H6	C4	H9	110.358
H7	C5	H10	110.358	H7	C5	H11	110.358
H8	C4	H9	111.976	H10	C5	H11	111.976

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

using model chemistry: B3LYP/CEP-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	0.348
2	O	-0.344
3	O	-0.344
4	C	-0.424
5	C	-0.424
6	H	0.225
7	H	0.225
8	H	0.184
9	H	0.184
10	H	0.184
11	H	0.184

<r²>	109.455
(<r²>)^1/2	10.462

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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