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	hartrees
Energy at 0K	-627.219565
Energy at 298.15K
HF Energy	-626.400471
Nuclear repulsion energy	273.558874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	3051	0.56
2	A₁	3167	2946	0.99
3	A₁	1524	1418	2.48
4	A₁	1436	1336	17.25
5	A₁	1193	1110	184.36
6	A₁	1061	987	0.00
7	A₁	728	678	10.42
8	A₁	502	467	32.07
9	A₁	278	259	2.28
10	A₂	3280	3052	0.00
11	A₂	1511	1406	0.00
12	A₂	991	922	0.00
13	A₂	299	279	0.00
14	A₂	196	182	0.00
15	B₁	3284	3056	2.75
16	B₁	1528	1421	9.32
17	B₁	1390	1293	254.31
18	B₁	1052	979	0.43
19	B₁	373	347	1.48
20	B₁	228	212	0.45
21	B₂	3278	3050	0.35
22	B₂	3164	2945	0.18
23	B₂	1515	1410	5.83
24	B₂	1418	1320	14.91
25	B₂	1003	934	71.57
26	B₂	800	744	45.33
27	B₂	467	435	46.89

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.268	0.000	0.910
O3	1.268	0.000	0.910
C4	0.000	1.402	-0.911
C5	0.000	-1.402	-0.911
H6	0.000	2.284	-0.276
H7	0.000	-2.284	-0.276
H8	0.897	1.385	-1.522
H9	-0.897	1.385	-1.522
H10	-0.897	-1.385	-1.522
H11	0.897	-1.385	-1.522

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4589	1.4589	1.7820	1.7820	2.3304	2.3304	2.3762	2.3762	2.3762	2.3762
O2	1.4589		2.5366	2.6248	2.6248	2.8687	2.8687	3.5378	2.8223	2.8223	3.5378
O3	1.4589	2.5366		2.6248	2.6248	2.8687	2.8687	2.8223	3.5378	3.5378	2.8223
C4	1.7820	2.6248	2.6248		2.8048	1.0859	3.7402	1.0852	1.0852	2.9908	2.9908
C5	1.7820	2.6248	2.6248	2.8048		3.7402	1.0859	2.9908	2.9908	1.0852	1.0852
H6	2.3304	2.8687	2.8687	1.0859	3.7402		4.5671	1.7786	1.7786	3.9762	3.9762
H7	2.3304	2.8687	2.8687	3.7402	1.0859	4.5671		3.9762	3.9762	1.7786	1.7786
H8	2.3762	3.5378	2.8223	1.0852	2.9908	1.7786	3.9762		1.7939	3.2994	2.7691
H9	2.3762	2.8223	3.5378	1.0852	2.9908	1.7786	3.9762	1.7939		2.7691	3.2994
H10	2.3762	2.8223	3.5378	2.9908	1.0852	3.9762	1.7786	3.2994	2.7691		1.7939
H11	2.3762	3.5378	2.8223	2.9908	1.0852	3.9762	1.7786	2.7691	3.2994	1.7939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.141	S1	C4	H8	109.527
S1	C4	H9	109.527	S1	C5	H7	106.141
S1	C5	H10	109.527	S1	C5	H11	109.527
O2	S1	O3	120.768	O2	S1	C4	107.752
O2	S1	C5	107.752	O3	S1	C4	107.752
O3	S1	C5	107.752	C4	S1	C5	103.807
H6	C4	H8	110.013	H6	C4	H9	110.013
H7	C5	H10	110.013	H7	C5	H11	110.013
H8	C4	H9	111.477	H10	C5	H11	111.477

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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