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	hartrees
Energy at 0K	-623.579650
Energy at 298.15K
HF Energy	-623.028725
Nuclear repulsion energy	255.046276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3185	3087	0.03
2	A₁	3076	2982	1.82
3	A₁	1521	1474	3.86
4	A₁	1407	1364	5.50
5	A₁	1066	1033	40.26
6	A₁	853	827	27.16
7	A₁	553	536	16.44
8	A₁	393	381	18.50
9	A₁	245	238	1.85
10	A₂	3184	3086	0.00
11	A₂	1521	1474	0.00
12	A₂	959	929	0.00
13	A₂	202	196	0.00
14	A₂	132	128	0.00
15	B₁	3187	3089	0.89
16	B₁	1535	1487	28.07
17	B₁	1120	1085	44.58
18	B₁	954	924	0.37
19	B₁	276	268	2.81
20	B₁	162	157	0.47
21	B₂	3184	3086	0.12
22	B₂	3074	2979	0.07
23	B₂	1511	1464	12.73
24	B₂	1383	1340	1.51
25	B₂	969	939	15.85
26	B₂	629	609	57.77
27	B₂	308	298	30.09

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.202
O2	-1.391	0.000	1.011
O3	1.391	0.000	1.011
C4	0.000	1.450	-1.011
C5	0.000	-1.450	-1.011
H6	0.000	2.362	-0.407
H7	0.000	-2.362	-0.407
H8	0.909	1.376	-1.614
H9	-0.909	1.376	-1.614
H10	-0.909	-1.376	-1.614
H11	0.909	-1.376	-1.614

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.6094	1.6094	1.8905	1.8905	2.4388	2.4388	2.4532	2.4532	2.4532	2.4532
O2	1.6094		2.7829	2.8506	2.8506	3.0859	3.0859	3.7517	3.0026	3.0026	3.7517
O3	1.6094	2.7829		2.8506	2.8506	3.0859	3.0859	3.0026	3.7517	3.7517	3.0026
C4	1.8905	2.8506	2.8506		2.9003	1.0933	3.8592	1.0933	1.0933	3.0296	3.0296
C5	1.8905	2.8506	2.8506	2.9003		3.8592	1.0933	3.0296	3.0296	1.0933	1.0933
H6	2.4388	3.0859	3.0859	1.0933	3.8592		4.7231	1.8038	1.8038	4.0317	4.0317
H7	2.4388	3.0859	3.0859	3.8592	1.0933	4.7231		4.0317	4.0317	1.8038	1.8038
H8	2.4532	3.7517	3.0026	1.0933	3.0296	1.8038	4.0317		1.8179	3.2987	2.7525
H9	2.4532	3.0026	3.7517	1.0933	3.0296	1.8038	4.0317	1.8179		2.7525	3.2987
H10	2.4532	3.0026	3.7517	3.0296	1.0933	4.0317	1.8038	3.2987	2.7525		1.8179
H11	2.4532	3.7517	3.0026	3.0296	1.0933	4.0317	1.8038	2.7525	3.2987	1.8179

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.562	S1	C4	H8	107.582
S1	C4	H9	107.582	S1	C5	H7	106.562
S1	C5	H10	107.582	S1	C5	H11	107.582
O2	S1	O3	119.670	O2	S1	C4	108.807
O2	S1	C5	108.807	O3	S1	C4	108.807
O3	S1	C5	108.807	C4	S1	C5	100.182
H6	C4	H8	111.162	H6	C4	H9	111.162
H7	C5	H10	111.162	H7	C5	H11	111.162
H8	C4	H9	112.479	H10	C5	H11	112.479

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

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

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