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	hartrees
Energy at 0K	-627.249486
Energy at 298.15K
HF Energy	-626.399534
Nuclear repulsion energy	270.366631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3203	3073	0.90
2	A₁	3086	2961	2.91
3	A₁	1459	1399	2.78
4	A₁	1352	1297	11.81
5	A₁	1123	1077	154.36
6	A₁	1003	962	0.32
7	A₁	685	657	10.88
8	A₁	467	448	30.03
9	A₁	265	254	1.79
10	A₂	3205	3075	0.00
11	A₂	1448	1389	0.00
12	A₂	924	886	0.00
13	A₂	280	269	0.00
14	A₂	175	168	0.00
15	B₁	3209	3079	3.25
16	B₁	1463	1404	8.30
17	B₁	1314	1260	195.03
18	B₁	986	946	0.19
19	B₁	344	330	1.70
20	B₁	208	200	0.52
21	B₂	3202	3072	0.22
22	B₂	3084	2959	0.42
23	B₂	1449	1391	6.51
24	B₂	1333	1279	8.55
25	B₂	943	905	63.03
26	B₂	749	718	46.77
27	B₂	437	419	43.71

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.194
O2	-1.290	0.000	0.918
O3	1.290	0.000	0.918
C4	0.000	1.409	-0.924
C5	0.000	-1.409	-0.924
H6	0.000	2.300	-0.274
H7	0.000	-2.300	-0.274
H8	0.912	1.388	-1.540
H9	-0.912	1.388	-1.540
H10	-0.912	-1.388	-1.540
H11	0.912	-1.388	-1.540

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4795	1.4795	1.7987	1.7987	2.3467	2.3467	2.4009	2.4009	2.4009	2.4009
O2	1.4795		2.5801	2.6540	2.6540	2.8938	2.8938	3.5805	2.8480	2.8480	3.5805
O3	1.4795	2.5801		2.6540	2.6540	2.8938	2.8938	2.8480	3.5805	3.5805	2.8480
C4	1.7987	2.6540	2.6540		2.8188	1.1019	3.7653	1.1012	1.1012	3.0062	3.0062
C5	1.7987	2.6540	2.6540	2.8188		3.7653	1.1019	3.0062	3.0062	1.1012	1.1012
H6	2.3467	2.8938	2.8938	1.1019	3.7653		4.5990	1.8070	1.8070	4.0039	4.0039
H7	2.3467	2.8938	2.8938	3.7653	1.1019	4.5990		4.0039	4.0039	1.8070	1.8070
H8	2.4009	3.5805	2.8480	1.1012	3.0062	1.8070	4.0039		1.8249	3.3220	2.7758
H9	2.4009	2.8480	3.5805	1.1012	3.0062	1.8070	4.0039	1.8249		2.7758	3.3220
H10	2.4009	2.8480	3.5805	3.0062	1.1012	4.0039	1.8070	3.3220	2.7758		1.8249
H11	2.4009	3.5805	2.8480	3.0062	1.1012	4.0039	1.8070	2.7758	3.3220	1.8249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.472	S1	C4	H8	109.411
S1	C4	H9	109.411	S1	C5	H7	105.472
S1	C5	H10	109.411	S1	C5	H11	109.411
O2	S1	O3	121.365	O2	S1	C4	107.712
O2	S1	C5	107.712	O3	S1	C4	107.712
O3	S1	C5	107.712	C4	S1	C5	103.174
H6	C4	H8	110.213	H6	C4	H9	110.213
H7	C5	H10	110.213	H7	C5	H11	110.213
H8	C4	H9	111.913	H10	C5	H11	111.913

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

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

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