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	hartrees
Energy at 0K	-628.039929
Energy at 298.15K
HF Energy	-628.039929
Nuclear repulsion energy	272.589231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3208	3062	0.15
2	A₁	3094	2952	0.99
3	A₁	1467	1400	3.15
4	A₁	1368	1306	21.62
5	A₁	1164	1110	164.93
6	A₁	1020	974	1.34
7	A₁	693	661	11.14
8	A₁	484	462	24.91
9	A₁	269	257	2.63
10	A₂	3209	3063	0.00
11	A₂	1455	1388	0.00
12	A₂	945	901	0.00
13	A₂	284	271	0.00
14	A₂	188	180	0.00
15	B₁	3213	3066	1.36
16	B₁	1473	1406	9.24
17	B₁	1362	1299	228.47
18	B₁	1005	959	2.03
19	B₁	357	340	0.47
20	B₁	219	209	0.53
21	B₂	3207	3061	1.17
22	B₂	3091	2950	0.36
23	B₂	1457	1390	8.05
24	B₂	1349	1287	20.01
25	B₂	958	915	75.78
26	B₂	759	724	44.80
27	B₂	447	426	35.44

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.191
O2	-1.271	0.000	0.914
O3	1.271	0.000	0.914
C4	0.000	1.406	-0.916
C5	0.000	-1.406	-0.916
H6	0.000	2.290	-0.276
H7	0.000	-2.290	-0.276
H8	0.902	1.392	-1.530
H9	-0.902	1.392	-1.530
H10	-0.902	-1.392	-1.530
H11	0.902	-1.392	-1.530

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4625	1.4625	1.7897	1.7897	2.3371	2.3371	2.3899	2.3899	2.3899	2.3899
O2	1.4625		2.5427	2.6348	2.6348	2.8767	2.8767	3.5541	2.8364	2.8364	3.5541
O3	1.4625	2.5427		2.6348	2.6348	2.8767	2.8767	2.8364	3.5541	3.5541	2.8364
C4	1.7897	2.6348	2.6348		2.8123	1.0915	3.7513	1.0909	1.0909	3.0033	3.0033
C5	1.7897	2.6348	2.6348	2.8123		3.7513	1.0915	3.0033	3.0033	1.0909	1.0909
H6	2.3371	2.8767	2.8767	1.0915	3.7513		4.5801	1.7867	1.7867	3.9930	3.9930
H7	2.3371	2.8767	2.8767	3.7513	1.0915	4.5801		3.9930	3.9930	1.7867	1.7867
H8	2.3899	3.5541	2.8364	1.0909	3.0033	1.7867	3.9930		1.8038	3.3174	2.7841
H9	2.3899	2.8364	3.5541	1.0909	3.0033	1.7867	3.9930	1.8038		2.7841	3.3174
H10	2.3899	2.8364	3.5541	3.0033	1.0909	3.9930	1.7867	3.3174	2.7841		1.8038
H11	2.3899	3.5541	2.8364	3.0033	1.0909	3.9930	1.7867	2.7841	3.3174	1.8038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.860	S1	C4	H8	109.741
S1	C4	H9	109.741	S1	C5	H7	105.860
S1	C5	H10	109.741	S1	C5	H11	109.741
O2	S1	O3	120.755	O2	S1	C4	107.804
O2	S1	C5	107.804	O3	S1	C4	107.804
O3	S1	C5	107.804	C4	S1	C5	103.572
H6	C4	H8	109.905	H6	C4	H9	109.905
H7	C5	H10	109.905	H7	C5	H11	109.905
H8	C4	H9	111.532	H10	C5	H11	111.532

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

using model chemistry: HSEh1PBE/6-31G**

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	1.089
2	O	-0.532
3	O	-0.532
4	C	-0.587
5	C	-0.587
6	H	0.209
7	H	0.209
8	H	0.183
9	H	0.183
10	H	0.183
11	H	0.183

<r²>	127.934
(<r²>)^1/2	11.311

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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