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	hartrees
Energy at 0K	-628.322018
Energy at 298.15K
HF Energy	-628.322018
Nuclear repulsion energy	272.891790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3205	3205	0.32
2	A₁	3090	3090	1.22
3	A₁	1468	1468	3.28
4	A₁	1379	1379	23.20
5	A₁	1180	1180	170.99
6	A₁	1026	1026	1.81
7	A₁	695	695	11.55
8	A₁	490	490	26.67
9	A₁	275	275	2.64
10	A₂	3205	3205	0.00
11	A₂	1467	1467	0.00
12	A₂	954	954	0.00
13	A₂	293	293	0.00
14	A₂	185	185	0.00
15	B₁	3209	3209	1.97
16	B₁	1485	1485	10.22
17	B₁	1380	1380	237.88
18	B₁	1013	1013	1.85
19	B₁	366	366	0.48
20	B₁	221	221	0.52
21	B₂	3203	3203	0.64
22	B₂	3088	3088	0.09
23	B₂	1459	1459	8.50
24	B₂	1362	1362	20.83
25	B₂	964	964	75.35
26	B₂	760	760	45.33
27	B₂	453	453	37.93

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.192
O2	-1.268	0.000	0.913
O3	1.268	0.000	0.913
C4	0.000	1.406	-0.917
C5	0.000	-1.406	-0.917
H6	0.000	2.292	-0.280
H7	0.000	-2.292	-0.280
H8	0.902	1.388	-1.530
H9	-0.902	1.388	-1.530
H10	-0.902	-1.388	-1.530
H11	0.902	-1.388	-1.530

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4584	1.4584	1.7909	1.7909	2.3402	2.3402	2.3886	2.3886	2.3886	2.3886
O2	1.4584		2.5351	2.6332	2.6332	2.8782	2.8782	3.5499	2.8338	2.8338	3.5499
O3	1.4584	2.5351		2.6332	2.6332	2.8782	2.8782	2.8338	3.5499	3.5499	2.8338
C4	1.7909	2.6332	2.6332		2.8127	1.0911	3.7530	1.0905	1.0905	2.9998	2.9998
C5	1.7909	2.6332	2.6332	2.8127		3.7530	1.0911	2.9998	2.9998	1.0905	1.0905
H6	2.3402	2.8782	2.8782	1.0911	3.7530		4.5844	1.7869	1.7869	3.9902	3.9902
H7	2.3402	2.8782	2.8782	3.7530	1.0911	4.5844		3.9902	3.9902	1.7869	1.7869
H8	2.3886	3.5499	2.8338	1.0905	2.9998	1.7869	3.9902		1.8033	3.3106	2.7764
H9	2.3886	2.8338	3.5499	1.0905	2.9998	1.7869	3.9902	1.8033		2.7764	3.3106
H10	2.3886	2.8338	3.5499	2.9998	1.0905	3.9902	1.7869	3.3106	2.7764		1.8033
H11	2.3886	3.5499	2.8338	2.9998	1.0905	3.9902	1.7869	2.7764	3.3106	1.8033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.026	S1	C4	H8	109.575
S1	C4	H9	109.575	S1	C5	H7	106.026
S1	C5	H10	109.575	S1	C5	H11	109.575
O2	S1	O3	120.720	O2	S1	C4	107.830
O2	S1	C5	107.830	O3	S1	C4	107.830
O3	S1	C5	107.830	C4	S1	C5	103.495
H6	C4	H8	109.986	H6	C4	H9	109.986
H7	C5	H10	109.986	H7	C5	H11	109.986
H8	C4	H9	111.539	H10	C5	H11	111.539

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

using model chemistry: wB97X-D/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	1.095
2	O	-0.540
3	O	-0.540
4	C	-0.570
5	C	-0.570
6	H	0.206
7	H	0.206
8	H	0.178
9	H	0.178
10	H	0.178
11	H	0.178

<r²>	127.773
(<r²>)^1/2	11.304

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

using model chemistry: wB97X-D/6-31G**

States and conformations

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