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	hartrees
Energy at 0K	-627.612083
Energy at 298.15K
HF Energy	-626.569838
Nuclear repulsion energy	276.439462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3187	3187	0.91
2	A₁	3086	3086	1.59
3	A₁	1483	1483	2.53
4	A₁	1383	1383	24.83
5	A₁	1211	1211	161.76
6	A₁	1026	1026	2.18
7	A₁	719	719	10.01
8	A₁	508	508	28.66
9	A₁	275	275	2.26
10	A₂	3191	3191	0.00
11	A₂	1468	1468	0.00
12	A₂	947	947	0.00
13	A₂	306	306	0.00
14	A₂	191	191	0.00
15	B₁	3195	3195	2.33
16	B₁	1485	1485	1.11
17	B₁	1408	1408	256.51
18	B₁	1008	1008	1.18
19	B₁	369	369	0.63
20	B₁	227	227	0.40
21	B₂	3185	3185	0.24
22	B₂	3084	3084	0.06
23	B₂	1473	1473	4.76
24	B₂	1367	1367	16.23
25	B₂	961	961	77.73
26	B₂	776	776	33.65
27	B₂	473	473	40.45

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.244	0.000	0.904
O3	1.244	0.000	0.904
C4	0.000	1.389	-0.907
C5	0.000	-1.389	-0.907
H6	0.000	2.270	-0.268
H7	0.000	-2.270	-0.268
H8	0.899	1.371	-1.518
H9	-0.899	1.371	-1.518
H10	-0.899	-1.371	-1.518
H11	0.899	-1.371	-1.518

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4351	1.4351	1.7699	1.7699	2.3152	2.3152	2.3668	2.3668	2.3668	2.3668
O2	1.4351		2.4882	2.6001	2.6001	2.8414	2.8414	3.5128	2.8047	2.8047	3.5128
O3	1.4351	2.4882		2.6001	2.6001	2.8414	2.8414	2.8047	3.5128	3.5128	2.8047
C4	1.7699	2.6001	2.6001		2.7788	1.0879	3.7145	1.0868	1.0868	2.9666	2.9666
C5	1.7699	2.6001	2.6001	2.7788		3.7145	1.0879	2.9666	2.9666	1.0868	1.0868
H6	2.3152	2.8414	2.8414	1.0879	3.7145		4.5393	1.7826	1.7826	3.9528	3.9528
H7	2.3152	2.8414	2.8414	3.7145	1.0879	4.5393		3.9528	3.9528	1.7826	1.7826
H8	2.3668	3.5128	2.8047	1.0868	2.9666	1.7826	3.9528		1.7978	3.2788	2.7420
H9	2.3668	2.8047	3.5128	1.0868	2.9666	1.7826	3.9528	1.7978		2.7420	3.2788
H10	2.3668	2.8047	3.5128	2.9666	1.0868	3.9528	1.7826	3.2788	2.7420		1.7978
H11	2.3668	3.5128	2.8047	2.9666	1.0868	3.9528	1.7826	2.7420	3.2788	1.7978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.733	S1	C4	H8	109.557
S1	C4	H9	109.557	S1	C5	H7	105.733
S1	C5	H10	109.557	S1	C5	H11	109.557
O2	S1	O3	120.210	O2	S1	C4	107.984
O2	S1	C5	107.984	O3	S1	C4	107.984
O3	S1	C5	107.984	C4	S1	C5	103.444
H6	C4	H8	110.111	H6	C4	H9	110.111
H7	C5	H10	110.111	H7	C5	H11	110.111
H8	C4	H9	111.601	H10	C5	H11	111.601

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

using model chemistry: CCSD/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: CCSD/Def2TZVPP

States and conformations

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