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	hartrees
Energy at 0K	-627.246068
Energy at 298.15K
HF Energy	-626.399968
Nuclear repulsion energy	270.726662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3206	3037	0.71
2	A₁	3090	2927	2.59
3	A₁	1459	1382	2.88
4	A₁	1354	1283	13.34
5	A₁	1133	1073	162.46
6	A₁	1007	954	0.06
7	A₁	691	655	10.88
8	A₁	472	447	30.82
9	A₁	266	252	1.82
10	A₂	3209	3040	0.00
11	A₂	1449	1372	0.00
12	A₂	926	877	0.00
13	A₂	282	267	0.00
14	A₂	177	167	0.00
15	B₁	3212	3043	2.87
16	B₁	1464	1387	7.99
17	B₁	1325	1255	207.64
18	B₁	989	937	0.24
19	B₁	347	328	1.70
20	B₁	210	199	0.54
21	B₂	3205	3036	0.29
22	B₂	3087	2925	0.27
23	B₂	1450	1374	6.36
24	B₂	1336	1266	9.24
25	B₂	946	896	65.77
26	B₂	753	713	45.71
27	B₂	441	418	45.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.193
O2	-1.287	0.000	0.917
O3	1.287	0.000	0.917
C4	0.000	1.408	-0.922
C5	0.000	-1.408	-0.922
H6	0.000	2.298	-0.273
H7	0.000	-2.298	-0.273
H8	0.912	1.387	-1.538
H9	-0.912	1.387	-1.538
H10	-0.912	-1.387	-1.538
H11	0.912	-1.387	-1.538

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4768	1.4768	1.7968	1.7968	2.3446	2.3446	2.3990	2.3990	2.3990	2.3990
O2	1.4768		2.5749	2.6503	2.6503	2.8901	2.8901	3.5765	2.8447	2.8447	3.5765
O3	1.4768	2.5749		2.6503	2.6503	2.8901	2.8901	2.8447	3.5765	3.5765	2.8447
C4	1.7968	2.6503	2.6503		2.8165	1.1017	3.7627	1.1009	1.1009	3.0043	3.0043
C5	1.7968	2.6503	2.6503	2.8165		3.7627	1.1017	3.0043	3.0043	1.1009	1.1009
H6	2.3446	2.8901	2.8901	1.1017	3.7627		4.5957	1.8066	1.8066	4.0017	4.0017
H7	2.3446	2.8901	2.8901	3.7627	1.1017	4.5957		4.0017	4.0017	1.8066	1.8066
H8	2.3990	3.5765	2.8447	1.1009	3.0043	1.8066	4.0017		1.8248	3.3206	2.7743
H9	2.3990	2.8447	3.5765	1.1009	3.0043	1.8066	4.0017	1.8248		2.7743	3.3206
H10	2.3990	2.8447	3.5765	3.0043	1.1009	4.0017	1.8066	3.3206	2.7743		1.8248
H11	2.3990	3.5765	2.8447	3.0043	1.1009	4.0017	1.8066	2.7743	3.3206	1.8248

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.457	S1	C4	H8	109.411
S1	C4	H9	109.411	S1	C5	H7	105.457
S1	C5	H10	109.411	S1	C5	H11	109.411
O2	S1	O3	121.333	O2	S1	C4	107.713
O2	S1	C5	107.713	O3	S1	C4	107.713
O3	S1	C5	107.713	C4	S1	C5	103.215
H6	C4	H8	110.207	H6	C4	H9	110.207
H7	C5	H10	110.207	H7	C5	H11	110.207
H8	C4	H9	111.938	H10	C5	H11	111.938

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

using model chemistry: CCSD/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: CCSD/cc-pVDZ

States and conformations

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