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	hartrees
Energy at 0K	-55.721248
Energy at 298.15K
HF Energy	-55.721248
Nuclear repulsion energy	109.524091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3367	3023	13.39
2	A₁	3261	2928	11.43
3	A₁	1586	1425	2.77
4	A₁	1508	1354	12.08
5	A₁	1217	1093	217.68
6	A₁	1104	991	4.08
7	A₁	750	673	5.03
8	A₁	515	463	44.60
9	A₁	281	252	1.96
10	A₂	3370	3026	0.00
11	A₂	1580	1419	0.00
12	A₂	1035	929	0.00
13	A₂	314	282	0.00
14	A₂	193	173	0.00
15	B₁	3375	3031	25.10
16	B₁	1595	1432	11.14
17	B₁	1395	1252	313.07
18	B₁	1094	983	0.00
19	B₁	375	336	2.26
20	B₁	224	201	0.55
21	B₂	3365	3021	0.68
22	B₂	3257	2925	6.92
23	B₂	1578	1417	5.34
24	B₂	1487	1335	2.77
25	B₂	1047	940	68.99
26	B₂	825	741	30.74
27	B₂	484	434	66.13

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.245
O2	-1.256	0.000	0.973
O3	1.256	0.000	0.973
C4	0.000	1.417	-0.856
C5	0.000	-1.417	-0.856
H6	0.000	2.294	-0.213
H7	0.000	-2.294	-0.213
H8	0.899	1.399	-1.466
H9	-0.899	1.399	-1.466
H10	-0.899	-1.399	-1.466
H11	0.899	-1.399	-1.466

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4520	1.4520	1.7944	1.7944	2.3389	2.3389	2.3853	2.3853	2.3853	2.3853
O2	1.4520		2.5125	2.6326	2.6326	2.8714	2.8714	3.5424	2.8334	2.8334	3.5424
O3	1.4520	2.5125		2.6326	2.6326	2.8714	2.8714	2.8334	3.5424	3.5424	2.8334
C4	1.7944	2.6326	2.6326		2.8343	1.0870	3.7661	1.0867	1.0867	3.0181	3.0181
C5	1.7944	2.6326	2.6326	2.8343		3.7661	1.0870	3.0181	3.0181	1.0867	1.0867
H6	2.3389	2.8714	2.8714	1.0870	3.7661		4.5873	1.7830	1.7830	4.0013	4.0013
H7	2.3389	2.8714	2.8714	3.7661	1.0870	4.5873		4.0013	4.0013	1.7830	1.7830
H8	2.3853	3.5424	2.8334	1.0867	3.0181	1.7830	4.0013		1.7990	3.3258	2.7972
H9	2.3853	2.8334	3.5424	1.0867	3.0181	1.7830	4.0013	1.7990		2.7972	3.3258
H10	2.3853	2.8334	3.5424	3.0181	1.0867	4.0013	1.7830	3.3258	2.7972		1.7990
H11	2.3853	3.5424	2.8334	3.0181	1.0867	4.0013	1.7830	2.7972	3.3258	1.7990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.905	S1	C4	H8	109.302
S1	C4	H9	109.302	S1	C5	H7	105.905
S1	C5	H10	109.302	S1	C5	H11	109.302
O2	S1	O3	119.811	O2	S1	C4	107.913
O2	S1	C5	107.913	O3	S1	C4	107.913
O3	S1	C5	107.913	C4	S1	C5	104.332
H6	C4	H8	110.214	H6	C4	H9	110.214
H7	C5	H10	110.214	H7	C5	H11	110.214
H8	C4	H9	111.727	H10	C5	H11	111.727

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

using model chemistry: HF/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	0.651
2	O	-0.490
3	O	-0.490
4	C	-0.335
5	C	-0.335
6	H	0.196
7	H	0.196
8	H	0.152
9	H	0.152
10	H	0.152
11	H	0.152

<r²>	106.426
(<r²>)^1/2	10.316

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

using model chemistry: HF/CEP-31G*

States and conformations

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