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	hartrees
Energy at 0K	-627.615736
Energy at 298.15K
HF Energy	-626.569550
Nuclear repulsion energy	276.136157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3185	3185	1.08
2	A₁	3085	3085	1.76
3	A₁	1482	1482	2.48
4	A₁	1380	1380	22.41
5	A₁	1202	1202	156.10
6	A₁	1024	1024	1.81
7	A₁	714	714	9.90
8	A₁	503	503	27.80
9	A₁	274	274	2.23
10	A₂	3190	3190	0.00
11	A₂	1467	1467	0.00
12	A₂	945	945	0.00
13	A₂	304	304	0.00
14	A₂	186	186	0.00
15	B₁	3194	3194	2.52
16	B₁	1484	1484	1.80
17	B₁	1398	1398	243.77
18	B₁	1005	1005	1.06
19	B₁	366	366	0.63
20	B₁	223	223	0.40
21	B₂	3183	3183	0.20
22	B₂	3082	3082	0.02
23	B₂	1472	1472	4.94
24	B₂	1364	1364	15.31
25	B₂	958	958	75.23
26	B₂	772	772	34.22
27	B₂	469	469	39.36

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.246	0.000	0.906
O3	1.246	0.000	0.906
C4	0.000	1.391	-0.909
C5	0.000	-1.391	-0.909
H6	0.000	2.271	-0.270
H7	0.000	-2.271	-0.270
H8	0.899	1.371	-1.519
H9	-0.899	1.371	-1.519
H10	-0.899	-1.371	-1.519
H11	0.899	-1.371	-1.519

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4371	1.4371	1.7719	1.7719	2.3174	2.3174	2.3676	2.3676	2.3676	2.3676
O2	1.4371		2.4920	2.6034	2.6034	2.8450	2.8450	3.5154	2.8065	2.8065	3.5154
O3	1.4371	2.4920		2.6034	2.6034	2.8450	2.8450	2.8065	3.5154	3.5154	2.8065
C4	1.7719	2.6034	2.6034		2.7811	1.0880	3.7172	1.0868	1.0868	2.9675	2.9675
C5	1.7719	2.6034	2.6034	2.7811		3.7172	1.0880	2.9675	2.9675	1.0868	1.0868
H6	2.3174	2.8450	2.8450	1.0880	3.7172		4.5429	1.7829	1.7829	3.9540	3.9540
H7	2.3174	2.8450	2.8450	3.7172	1.0880	4.5429		3.9540	3.9540	1.7829	1.7829
H8	2.3676	3.5154	2.8065	1.0868	2.9675	1.7829	3.9540		1.7985	3.2790	2.7418
H9	2.3676	2.8065	3.5154	1.0868	2.9675	1.7829	3.9540	1.7985		2.7418	3.2790
H10	2.3676	2.8065	3.5154	2.9675	1.0868	3.9540	1.7829	3.2790	2.7418		1.7985
H11	2.3676	3.5154	2.8065	2.9675	1.0868	3.9540	1.7829	2.7418	3.2790	1.7985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.761	S1	C4	H8	109.492
S1	C4	H9	109.492	S1	C5	H7	105.761
S1	C5	H10	109.492	S1	C5	H11	109.492
O2	S1	O3	120.225	O2	S1	C4	107.989
O2	S1	C5	107.989	O3	S1	C4	107.989
O3	S1	C5	107.989	C4	S1	C5	103.402
H6	C4	H8	110.126	H6	C4	H9	110.126
H7	C5	H10	110.126	H7	C5	H11	110.126
H8	C4	H9	111.670	H10	C5	H11	111.670

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

using model chemistry: QCISD/Def2TZVPP

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

using model chemistry: QCISD/Def2TZVPP

States and conformations

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