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	hartrees
Energy at 0K	-627.243575
Energy at 298.15K
HF Energy	-626.387093
Nuclear repulsion energy	271.283804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3193	3070
2	A₁	3085	2967
3	A₁	1504	1446
4	A₁	1411	1357
5	A₁	1152	1108
6	A₁	1038	998
7	A₁	694	668
8	A₁	479	460
9	A₁	273	263
10	A₂	3193	3071
11	A₂	1491	1434
12	A₂	975	938
13	A₂	287	276
14	A₂	196	188
15	B₁	3197	3074
16	B₁	1507	1449
17	B₁	1342	1291
18	B₁	1030	990
19	B₁	361	347
20	B₁	228	219
21	B₂	3192	3069
22	B₂	3083	2965
23	B₂	1495	1438
24	B₂	1393	1340
25	B₂	988	950
26	B₂	774	744
27	B₂	443	426

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.191
O2	-1.284	0.000	0.917
O3	1.284	0.000	0.917
C4	0.000	1.407	-0.918
C5	0.000	-1.407	-0.918
H6	0.000	2.299	-0.283
H7	0.000	-2.299	-0.283
H8	0.904	1.389	-1.536
H9	-0.904	1.389	-1.536
H10	-0.904	-1.389	-1.536
H11	0.904	-1.389	-1.536

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4747	1.4747	1.7919	1.7919	2.3472	2.3472	2.3937	2.3937	2.3937	2.3937
O2	1.4747		2.5682	2.6449	2.6449	2.8935	2.8935	3.5679	2.8441	2.8441	3.5679
O3	1.4747	2.5682		2.6449	2.6449	2.8935	2.8935	2.8441	3.5679	3.5679	2.8441
C4	1.7919	2.6449	2.6449		2.8134	1.0952	3.7596	1.0945	1.0945	3.0025	3.0025
C5	1.7919	2.6449	2.6449	2.8134		3.7596	1.0952	3.0025	3.0025	1.0945	1.0945
H6	2.3472	2.8935	2.8935	1.0952	3.7596		4.5975	1.7924	1.7924	3.9984	3.9984
H7	2.3472	2.8935	2.8935	3.7596	1.0952	4.5975		3.9984	3.9984	1.7924	1.7924
H8	2.3937	3.5679	2.8441	1.0945	3.0025	1.7924	3.9984		1.8072	3.3146	2.7786
H9	2.3937	2.8441	3.5679	1.0945	3.0025	1.7924	3.9984	1.8072		2.7786	3.3146
H10	2.3937	2.8441	3.5679	3.0025	1.0945	3.9984	1.7924	3.3146	2.7786		1.8072
H11	2.3937	3.5679	2.8441	3.0025	1.0945	3.9984	1.7924	2.7786	3.3146	1.8072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.266	S1	C4	H8	109.686
S1	C4	H9	109.686	S1	C5	H7	106.266
S1	C5	H10	109.686	S1	C5	H11	109.686
O2	S1	O3	121.093	O2	S1	C4	107.733
O2	S1	C5	107.733	O3	S1	C4	107.733
O3	S1	C5	107.733	C4	S1	C5	103.453
H6	C4	H8	109.887	H6	C4	H9	109.887
H7	C5	H10	109.887	H7	C5	H11	109.887
H8	C4	H9	111.302	H10	C5	H11	111.302

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

using model chemistry: MP4=FULL/6-31G*

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: MP4=FULL/6-31G*

States and conformations

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