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	hartrees
Energy at 0K	-627.501338
Energy at 298.15K
HF Energy	-626.455387
Nuclear repulsion energy	276.355082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3224	3036	0.27
2	A₁	3120	2938	0.63
3	A₁	1499	1412	1.53
4	A₁	1398	1317	24.89
5	A₁	1215	1144	147.86
6	A₁	1035	975	2.56
7	A₁	731	688	8.68
8	A₁	508	478	26.55
9	A₁	280	264	2.46
10	A₂	3228	3040	0.00
11	A₂	1490	1403	0.00
12	A₂	959	903	0.00
13	A₂	298	281	0.00
14	A₂	196	185	0.00
15	B₁	3232	3044	1.42
16	B₁	1507	1419	2.47
17	B₁	1421	1338	223.63
18	B₁	1017	957	2.15
19	B₁	364	343	0.39
20	B₁	222	209	0.41
21	B₂	3223	3035	0.63
22	B₂	3118	2936	0.30
23	B₂	1490	1403	5.48
24	B₂	1382	1302	16.18
25	B₂	974	917	78.41
26	B₂	789	743	30.60
27	B₂	468	440	37.23

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.193
O2	-1.247	0.000	0.904
O3	1.247	0.000	0.904
C4	0.000	1.384	-0.909
C5	0.000	-1.384	-0.909
H6	0.000	2.272	-0.279
H7	0.000	-2.272	-0.279
H8	0.898	1.367	-1.522
H9	-0.898	1.367	-1.522
H10	-0.898	-1.367	-1.522
H11	0.898	-1.367	-1.522

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4360	1.4360	1.7690	1.7690	2.3206	2.3206	2.3691	2.3691	2.3691	2.3691
O2	1.4360		2.4947	2.5997	2.5997	2.8493	2.8493	3.5150	2.8062	2.8062	3.5150
O3	1.4360	2.4947		2.5997	2.5997	2.8493	2.8493	2.8062	3.5150	3.5150	2.8062
C4	1.7690	2.5997	2.5997		2.7688	1.0885	3.7105	1.0875	1.0875	2.9581	2.9581
C5	1.7690	2.5997	2.5997	2.7688		3.7105	1.0885	2.9581	2.9581	1.0875	1.0875
H6	2.3206	2.8493	2.8493	1.0885	3.7105		4.5445	1.7808	1.7808	3.9488	3.9488
H7	2.3206	2.8493	2.8493	3.7105	1.0885	4.5445		3.9488	3.9488	1.7808	1.7808
H8	2.3691	3.5150	2.8062	1.0875	2.9581	1.7808	3.9488		1.7959	3.2705	2.7333
H9	2.3691	2.8062	3.5150	1.0875	2.9581	1.7808	3.9488	1.7959		2.7333	3.2705
H10	2.3691	2.8062	3.5150	2.9581	1.0875	3.9488	1.7808	3.2705	2.7333		1.7959
H11	2.3691	3.5150	2.8062	2.9581	1.0875	3.9488	1.7808	2.7333	3.2705	1.7959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	106.152	S1	C4	H8	109.766
S1	C4	H9	109.766	S1	C5	H7	106.152
S1	C5	H10	109.766	S1	C5	H11	109.766
O2	S1	O3	120.593	O2	S1	C4	107.966
O2	S1	C5	107.966	O3	S1	C4	107.966
O3	S1	C5	107.966	C4	S1	C5	103.002
H6	C4	H8	109.849	H6	C4	H9	109.849
H7	C5	H10	109.849	H7	C5	H11	109.849
H8	C4	H9	111.327	H10	C5	H11	111.327

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

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