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	hartrees
Energy at 0K	-627.313075
Energy at 298.15K
HF Energy	-626.460289
Nuclear repulsion energy	273.265115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3174	3039	1.31
2	A₁	3072	2941	2.43
3	A₁	1491	1427	5.22
4	A₁	1413	1353	20.22
5	A₁	1155	1106	186.79
6	A₁	1042	997	0.43
7	A₁	705	675	9.87
8	A₁	487	467	32.19
9	A₁	279	267	2.31
10	A₂	3179	3043	0.00
11	A₂	1477	1414	0.00
12	A₂	971	929	0.00
13	A₂	301	288	0.00
14	A₂	181	173	0.00
15	B₁	3183	3047	3.76
16	B₁	1494	1430	15.89
17	B₁	1349	1291	234.92
18	B₁	1032	988	0.96
19	B₁	368	352	1.19
20	B₁	218	208	0.63
21	B₂	3172	3037	0.09
22	B₂	3070	2939	0.18
23	B₂	1481	1418	7.31
24	B₂	1394	1335	22.83
25	B₂	988	946	65.13
26	B₂	774	741	45.05
27	B₂	462	442	45.30

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.192
O2	-1.266	0.000	0.909
O3	1.266	0.000	0.909
C4	0.000	1.405	-0.914
C5	0.000	-1.405	-0.914
H6	0.000	2.291	-0.274
H7	0.000	-2.291	-0.274
H8	0.903	1.391	-1.527
H9	-0.903	1.391	-1.527
H10	-0.903	-1.391	-1.527
H11	0.903	-1.391	-1.527

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4554	1.4554	1.7884	1.7884	2.3381	2.3381	2.3889	2.3889	2.3889	2.3889
O2	1.4554		2.5329	2.6274	2.6274	2.8728	2.8728	3.5467	2.8288	2.8288	3.5467
O3	1.4554	2.5329		2.6274	2.6274	2.8728	2.8728	2.8288	3.5467	3.5467	2.8288
C4	1.7884	2.6274	2.6274		2.8106	1.0929	3.7515	1.0920	1.0920	3.0017	3.0017
C5	1.7884	2.6274	2.6274	2.8106		3.7515	1.0929	3.0017	3.0017	1.0920	1.0920
H6	2.3381	2.8728	2.8728	1.0929	3.7515		4.5823	1.7882	1.7882	3.9929	3.9929
H7	2.3381	2.8728	2.8728	3.7515	1.0929	4.5823		3.9929	3.9929	1.7882	1.7882
H8	2.3889	3.5467	2.8288	1.0920	3.0017	1.7882	3.9929		1.8069	3.3169	2.7815
H9	2.3889	2.8288	3.5467	1.0920	3.0017	1.7882	3.9929	1.8069		2.7815	3.3169
H10	2.3889	2.8288	3.5467	3.0017	1.0920	3.9929	1.7882	3.3169	2.7815		1.8069
H11	2.3889	3.5467	2.8288	3.0017	1.0920	3.9929	1.7882	2.7815	3.3169	1.8069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.942	S1	C4	H8	109.685
S1	C4	H9	109.685	S1	C5	H7	105.942
S1	C5	H10	109.685	S1	C5	H11	109.685
O2	S1	O3	120.959	O2	S1	C4	107.743
O2	S1	C5	107.743	O3	S1	C4	107.743
O3	S1	C5	107.743	C4	S1	C5	103.587
H6	C4	H8	109.858	H6	C4	H9	109.858
H7	C5	H10	109.858	H7	C5	H11	109.858
H8	C4	H9	111.653	H10	C5	H11	111.653

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

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

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