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	hartrees
Energy at 0K	-627.387570
Energy at 298.15K
HF Energy	-626.432168
Nuclear repulsion energy	268.490441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3169	3077
2	A₁	3049	2961
3	A₁	1437	1396
4	A₁	1320	1282
5	A₁	1080	1049
6	A₁	983	955
7	A₁	663	644
8	A₁	445	432
9	A₁	258	251
10	A₂	3166	3075
11	A₂	1427	1386
12	A₂	916	890
13	A₂	282	274
14	A₂	166	161
15	B₁	3169	3077
16	B₁	1443	1402
17	B₁	1241	1205
18	B₁	965	937
19	B₁	336	327
20	B₁	200	194
21	B₂	3167	3076
22	B₂	3046	2959
23	B₂	1428	1386
24	B₂	1303	1265
25	B₂	928	902
26	B₂	727	707
27	B₂	428	416

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	-1.301	0.000	0.928
O3	1.301	0.000	0.928
C4	0.000	1.420	-0.930
C5	0.000	-1.420	-0.930
H6	0.000	2.306	-0.276
H7	0.000	-2.306	-0.276
H8	0.915	1.385	-1.542
H9	-0.915	1.385	-1.542
H10	-0.915	-1.385	-1.542
H11	0.915	-1.385	-1.542

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4964	1.4964	1.8076	1.8076	2.3526	2.3526	2.3981	2.3981	2.3981	2.3981
O2	1.4964		2.6018	2.6761	2.6761	2.9090	2.9090	3.5958	2.8584	2.8584	3.5958
O3	1.4964	2.6018		2.6761	2.6761	2.9090	2.9090	2.8584	3.5958	3.5958	2.8584
C4	1.8076	2.6761	2.6761		2.8396	1.1012	3.7828	1.1011	1.1011	3.0130	3.0130
C5	1.8076	2.6761	2.6761	2.8396		3.7828	1.1012	3.0130	3.0130	1.1011	1.1011
H6	2.3526	2.9090	2.9090	1.1012	3.7828		4.6123	1.8130	1.8130	4.0079	4.0079
H7	2.3526	2.9090	2.9090	3.7828	1.1012	4.6123		4.0079	4.0079	1.8130	1.8130
H8	2.3981	3.5958	2.8584	1.1011	3.0130	1.8130	4.0079		1.8292	3.3194	2.7700
H9	2.3981	2.8584	3.5958	1.1011	3.0130	1.8130	4.0079	1.8292		2.7700	3.3194
H10	2.3981	2.8584	3.5958	3.0130	1.1011	4.0079	1.8130	3.3194	2.7700		1.8292
H11	2.3981	3.5958	2.8584	3.0130	1.1011	4.0079	1.8130	2.7700	3.3194	1.8292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	105.364	S1	C4	H8	108.617
S1	C4	H9	108.617	S1	C5	H7	105.364
S1	C5	H10	108.617	S1	C5	H11	108.617
O2	S1	O3	120.766	O2	S1	C4	107.810
O2	S1	C5	107.810	O3	S1	C4	107.810
O3	S1	C5	107.810	C4	S1	C5	103.529
H6	C4	H8	110.817	H6	C4	H9	110.817
H7	C5	H10	110.817	H7	C5	H11	110.817
H8	C4	H9	112.321	H10	C5	H11	112.321

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

using model chemistry: CCSD(T)=FULL/aug-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(T)=FULL/aug-cc-pVDZ

States and conformations

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